N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide

C15H19N5O — CID 78978275

IUPACN-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESO=C(CCNCc1cn[nH]c1-c1cccnc1)NC1CC1
InChIInChI=1S/C15H19N5O/c21-14(19-13-3-4-13)5-7-17-9-12-10-18-20-15(12)11-2-1-6-16-8-11/h1-2,6,8,10,13,17H,3-5,7,9H2,(H,18,20)(H,19,21)
InChIKeyTVZRHMNUJQTZMM-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.23
Rot. Bonds7

About N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide

N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 78978275) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID78978275
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESO=C(CCNCc1cn[nH]c1-c1cccnc1)NC1CC1
InChIInChI=1S/C15H19N5O/c21-14(19-13-3-4-13)5-7-17-9-12-10-18-20-15(12)11-2-1-6-16-8-11/h1-2,6,8,10,13,17H,3-5,7,9H2,(H,18,20)(H,19,21)
InChIKeyTVZRHMNUJQTZMM-UHFFFAOYSA-N
XLogP1.23
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide with MolForge

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 86854951
4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127229
N'-cyclopentyl-N'-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 119123770
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
CID 62416311
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
1,1-dioxo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]thian-4-amine
CID 43778666
3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649065
N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 103838560
2-piperidin-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 61068727
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581
2-[(1S,2R)-2-methylcyclohexyl]oxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 95136028
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide (CID 78978275) is N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide is O=C(CCNCc1cn[nH]c1-c1cccnc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is TVZRHMNUJQTZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-14(19-13-3-4-13)5-7-17-9-12-10-18-20-15(12)11-2-1-6-16-8-11/h1-2,6,8,10,13,17H,3-5,7,9H2,(H,18,20)(H,19,21).
What are the key properties of N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 78978275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).