N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide

C16H20N4O — CID 78978276

IUPACN-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(-n2cccn2)cc1)NC1CC1
InChIInChI=1S/C16H20N4O/c21-16(19-14-4-5-14)8-10-17-12-13-2-6-15(7-3-13)20-11-1-9-18-20/h1-3,6-7,9,11,14,17H,4-5,8,10,12H2,(H,19,21)
InChIKeyFSBMEAQJGBJTSA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.63
Rot. Bonds7

About N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide

N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide (PubChem CID 78978276) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
PubChem CID78978276
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
SMILESO=C(CCNCc1ccc(-n2cccn2)cc1)NC1CC1
InChIInChI=1S/C16H20N4O/c21-16(19-14-4-5-14)8-10-17-12-13-2-6-15(7-3-13)20-11-1-9-18-20/h1-3,6-7,9,11,14,17H,4-5,8,10,12H2,(H,19,21)
InChIKeyFSBMEAQJGBJTSA-UHFFFAOYSA-N
XLogP1.63
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[(4-methylphenyl)methylamino]propanamide
CID 55090993
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
N-cyclopropyl-3-[(1-propylpyrrol-2-yl)methylamino]propanamide
CID 79394241
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanamide
CID 51949005
1-cyclopropyl-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916114
N-cyclopropyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 62316575
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
2,2-dimethyl-4-[(4-pyrazol-1-ylphenyl)methylamino]butanoic acid
CID 122126715
6-[(4-pyrazol-1-ylphenyl)methylamino]hexan-1-ol
CID 103924243
N-cyclopropyl-3-(furan-3-ylmethylamino)propanamide
CID 78921552
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
CID 42485205

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide (CID 78978276) is N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide is O=C(CCNCc1ccc(-n2cccn2)cc1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide?
The InChIKey is FSBMEAQJGBJTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(19-14-4-5-14)8-10-17-12-13-2-6-15(7-3-13)20-11-1-9-18-20/h1-3,6-7,9,11,14,17H,4-5,8,10,12H2,(H,19,21).
What are the key properties of N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide?
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide has a molecular weight of 284.36 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 78978276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).