2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide

C16H20N4O — CID 162513055

IUPAC2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(CN)cc1
InChIInChI=1S/C16H20N4O/c1-10(12-4-2-11(9-17)3-5-12)16(21)18-15-8-14(19-20-15)13-6-7-13/h2-5,8,10,13H,6-7,9,17H2,1H3,(H2,18,19,20,21)
InChIKeyFGYBEVWBUIKCHQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide

2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide (PubChem CID 162513055) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
PubChem CID162513055
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(CN)cc1
InChIInChI=1S/C16H20N4O/c1-10(12-4-2-11(9-17)3-5-12)16(21)18-15-8-14(19-20-15)13-6-7-13/h2-5,8,10,13H,6-7,9,17H2,1H3,(H2,18,19,20,21)
InChIKeyFGYBEVWBUIKCHQ-UHFFFAOYSA-N
XLogP2.49
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
CID 155168097
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide
CID 155168084
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
(2R)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 5330964
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-pyrazin-2-ylphenyl)propanamide
CID 160563832
(2R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-pyridin-3-ylpropanamide
CID 164630164
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
CID 153234256
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methyl-4-oxoheptanamide
CID 169245129
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
CID 90932431
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)phenyl]propanamide
CID 139558785
2-[4-[1-(4-bromobut-2-enoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 139558771
(2S)-2-amino-N-(5-cycloheptyl-1H-pyrazol-3-yl)-4-methylpentanamide;hydrochloride
CID 119794268

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide (CID 162513055) is 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is FGYBEVWBUIKCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(12-4-2-11(9-17)3-5-12)16(21)18-15-8-14(19-20-15)13-6-7-13/h2-5,8,10,13H,6-7,9,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide?
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 162513055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).