N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide

C12H14N4O — CID 78981080

IUPACN-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NCc1cn[nH]c1
InChIInChI=1S/C12H14N4O/c17-12(14-7-10-8-15-16-9-10)5-4-11-3-1-2-6-13-11/h1-3,6,8-9H,4-5,7H2,(H,14,17)(H,15,16)
InChIKeySOKBZDQJGWSPRC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.05
Rot. Bonds5

About N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide

N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide (PubChem CID 78981080) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
PubChem CID78981080
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide
SMILESO=C(CCc1ccccn1)NCc1cn[nH]c1
InChIInChI=1S/C12H14N4O/c17-12(14-7-10-8-15-16-9-10)5-4-11-3-1-2-6-13-11/h1-3,6,8-9H,4-5,7H2,(H,14,17)(H,15,16)
InChIKeySOKBZDQJGWSPRC-UHFFFAOYSA-N
XLogP1.05
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-2-yl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114182119
N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
CID 81485528
2-[2-(aminomethyl)phenoxy]-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 54982506
N-(2-hydroxy-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 79039378
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
3-pyrazol-1-yl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 61004651
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 42291769
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-(2-amino-2-methylpropyl)-3-pyridin-2-ylpropanamide
CID 81483427
N-[2-(ethylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81479078
methyl 2,2-dimethyl-3-(3-pyridin-2-ylpropanoylamino)propanoate
CID 75425844

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide (CID 78981080) is N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide is O=C(CCc1ccccn1)NCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide?
The InChIKey is SOKBZDQJGWSPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-12(14-7-10-8-15-16-9-10)5-4-11-3-1-2-6-13-11/h1-3,6,8-9H,4-5,7H2,(H,14,17)(H,15,16).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide?
N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide has a molecular weight of 230.27 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 78981080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).