(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide

C19H22N4O2 — CID 155168097

IUPAC(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
SMILESC=CC(=O)NCc1ccc([C@H](C)C(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C19H22N4O2/c1-3-18(24)20-11-13-4-6-14(7-5-13)12(2)19(25)21-17-10-16(22-23-17)15-8-9-15/h3-7,10,12,15H,1,8-9,11H2,2H3,(H,20,24)(H2,21,22,23,25)/t12-/m0/s1
InChIKeyTWXVAVWRCUJVMO-LBPRGKRZSA-N
MW338.41 g/mol
LogP2.83
Rot. Bonds7

About (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide (PubChem CID 155168097) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
PubChem CID155168097
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
SMILESC=CC(=O)NCc1ccc([C@H](C)C(=O)Nc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C19H22N4O2/c1-3-18(24)20-11-13-4-6-14(7-5-13)12(2)19(25)21-17-10-16(22-23-17)15-8-9-15/h3-7,10,12,15H,1,8-9,11H2,2H3,(H,20,24)(H2,21,22,23,25)/t12-/m0/s1
InChIKeyTWXVAVWRCUJVMO-LBPRGKRZSA-N
XLogP2.83
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide
CID 155168084
2-[4-(aminomethyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)propanamide
CID 162513055
N-[[5-[5-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2-pyridinyl]-2-pyridinyl]methyl]prop-2-enamide
CID 155175687
(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
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-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
CID 153234256
(2R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-pyridin-3-ylpropanamide
CID 164630164
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-pyrazin-2-ylphenyl)propanamide
CID 160563832
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
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-fluoro-4-(prop-2-enoylamino)phenyl]phenyl]-3-methylbutanamide
CID 134562634
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-ethyl-5-methyl-4-oxoheptanamide
CID 169245129

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide?
The IUPAC name of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide (CID 155168097) is (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide.
What is the SMILES notation for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide?
The canonical SMILES for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide is C=CC(=O)NCc1ccc([C@H](C)C(=O)Nc2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide?
The InChIKey is TWXVAVWRCUJVMO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-18(24)20-11-13-4-6-14(7-5-13)12(2)19(25)21-17-10-16(22-23-17)15-8-9-15/h3-7,10,12,15H,1,8-9,11H2,2H3,(H,20,24)(H2,21,22,23,25)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide?
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide has a molecular weight of 338.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 155168097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).