2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide

C12H20N4O2 — CID 114097514

IUPAC2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide
SMILESNc1cnn(CC(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C12H20N4O2/c13-11-6-15-16(7-11)8-12(17)14-4-1-5-18-9-10-2-3-10/h6-7,10H,1-5,8-9,13H2,(H,14,17)
InChIKeySZVAKHWVYVSUMU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.40
Rot. Bonds8

About 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide (PubChem CID 114097514) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide
PubChem CID114097514
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide
SMILESNc1cnn(CC(=O)NCCCOCC2CC2)c1
InChIInChI=1S/C12H20N4O2/c13-11-6-15-16(7-11)8-12(17)14-4-1-5-18-9-10-2-3-10/h6-7,10H,1-5,8-9,13H2,(H,14,17)
InChIKeySZVAKHWVYVSUMU-UHFFFAOYSA-N
XLogP0.40
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]ethyl carbamate
CID 83201957
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
2-(4-aminopyrazol-1-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 114514841
tert-butyl N-[3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]propyl]carbamate
CID 114517811
2-(4-aminopyrazol-1-yl)-N-[3-(methanesulfonamido)propyl]acetamide
CID 114174718
2-(4-aminopyrazol-1-yl)-N-(4-ethylcyclohexyl)acetamide
CID 54955773
2-(4-aminopyrazol-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 114162948
2-(4-aminopyrazol-1-yl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 62843765
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429
1-[(2-chlorophenyl)methyl]-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 18132255
3-[[2-(4-aminopyrazol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 61102926
2-(4-aminopyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 92632010

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide (CID 114097514) is 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide is Nc1cnn(CC(=O)NCCCOCC2CC2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide?
The InChIKey is SZVAKHWVYVSUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c13-11-6-15-16(7-11)8-12(17)14-4-1-5-18-9-10-2-3-10/h6-7,10H,1-5,8-9,13H2,(H,14,17).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[3-(cyclopropylmethoxy)propyl]acetamide is sourced from PubChem (CID 114097514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).