cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

C16H28N4O2 — CID 56897650

IUPACcis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCOCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C16H28N4O2/c1-11-15(12(2)19(3)18-11)10-20(7-8-22-4)16(21)13-5-6-14(17)9-13/h13-14H,5-10,17H2,1-4H3/t13-,14+/m0/s1
InChIKeyDTMBCWXDNFVJMM-UONOGXRCSA-N
MW308.43 g/mol
LogP1.14
Rot. Bonds6

About cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 56897650) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID56897650
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Namecis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESCOCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H]1CC[C@@H](N)C1
InChIInChI=1S/C16H28N4O2/c1-11-15(12(2)19(3)18-11)10-20(7-8-22-4)16(21)13-5-6-14(17)9-13/h13-14H,5-10,17H2,1-4H3/t13-,14+/m0/s1
InChIKeyDTMBCWXDNFVJMM-UONOGXRCSA-N
XLogP1.14
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-{3-[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]-3-oxopropyl}-1,3,5-trimethyl-1H-pyrazole
CID 70712324
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72880511
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-piperidinecarboxamide
CID 72880570
1-cyclopentyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72880259
N-cyclopentyl-2-{4-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]-3-morpholinyl}acetamide
CID 56898587
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 43044813
N-(oxolan-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47136397
1-(3-Ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 71927852
1-(2-methoxyacetyl)-N-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 97894510
N-(1-cyanobutan-2-yl)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 126839779
(1S*,5R*)-6-(2-methoxyethyl)-3-[3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133115464

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 56897650) is cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is COCCN(Cc1c(C)nn(C)c1C)C(=O)[C@H]1CC[C@@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is DTMBCWXDNFVJMM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-15(12(2)19(3)18-11)10-20(7-8-22-4)16(21)13-5-6-14(17)9-13/h13-14H,5-10,17H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 56897650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).