3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid

C22H31N5O4 — CID 175923707

IUPAC3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid
SMILESNCCOc1ccccc1CC(=O)Nc1cc([C@@H]2CC[C@@H](CCCNC(=O)O)C2)[nH]n1
InChIInChI=1S/C22H31N5O4/c23-9-11-31-19-6-2-1-5-17(19)13-21(28)25-20-14-18(26-27-20)16-8-7-15(12-16)4-3-10-24-22(29)30/h1-2,5-6,14-16,24H,3-4,7-13,23H2,(H,29,30)(H2,25,26,27,28)/t15-,16-/m1/s1
InChIKeyOZRPSDHXXPKIQV-HZPDHXFCSA-N
MW429.52 g/mol
LogP2.86
Rot. Bonds11

About 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid

3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid (PubChem CID 175923707) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid.

Molecular Properties

Compound Name3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid
PubChem CID175923707
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Name3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid
SMILESNCCOc1ccccc1CC(=O)Nc1cc([C@@H]2CC[C@@H](CCCNC(=O)O)C2)[nH]n1
InChIInChI=1S/C22H31N5O4/c23-9-11-31-19-6-2-1-5-17(19)13-21(28)25-20-14-18(26-27-20)16-8-7-15(12-16)4-3-10-24-22(29)30/h1-2,5-6,14-16,24H,3-4,7-13,23H2,(H,29,30)(H2,25,26,27,28)/t15-,16-/m1/s1
InChIKeyOZRPSDHXXPKIQV-HZPDHXFCSA-N
XLogP2.86
TPSA142.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R,3S)-3-[3-[[2-(4-methoxy-2-methylsulfonylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid
CID 175923691
[(1S,3R)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 154616531
2-(3-aminonaphthalen-2-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176805
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenoxyphenyl)acetamide
CID 22176647
[(1R,3S)-3-[3-[[2-(2-sulfamoylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-propylcarbamate
CID 154616396
N-[5-[(1S,3R)-3-butylcyclopentyl]-1H-pyrazol-3-yl]-2-imidazo[1,2-a]pyrimidin-2-ylacetamide
CID 175969884
N-[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]benzamide
CID 164879657
ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079582
propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079558
2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
CID 115753474
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 126772601
[(1R,3S)-3-[3-[[2-(5-methoxy-2-methylsulfonylphenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]methyl N-tert-butylcarbamate
CID 155040283

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid?
The IUPAC name of 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid (CID 175923707) is 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid.
What is the SMILES notation for 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid?
The canonical SMILES for 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid is NCCOc1ccccc1CC(=O)Nc1cc([C@@H]2CC[C@@H](CCCNC(=O)O)C2)[nH]n1.
What is the InChIKey of 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid?
The InChIKey is OZRPSDHXXPKIQV-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H31N5O4/c23-9-11-31-19-6-2-1-5-17(19)13-21(28)25-20-14-18(26-27-20)16-8-7-15(12-16)4-3-10-24-22(29)30/h1-2,5-6,14-16,24H,3-4,7-13,23H2,(H,29,30)(H2,25,26,27,28)/t15-,16-/m1/s1.
What are the key properties of 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid?
3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid has a molecular weight of 429.52 g/mol, XLogP of 2.86, 11 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,3R)-3-[3-[[2-[2-(2-aminoethoxy)phenyl]acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]propylcarbamic acid is sourced from PubChem (CID 175923707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).