N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide

C25H26N4O2 — CID 153234256

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
SMILESC=CC(=O)CCc1ccc(-c2cccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)c2)cn1
InChIInChI=1S/C25H26N4O2/c1-3-22(30)12-11-21-10-9-20(15-26-21)19-6-4-5-18(13-19)16(2)25(31)27-24-14-23(28-29-24)17-7-8-17/h3-6,9-10,13-17H,1,7-8,11-12H2,2H3,(H2,27,28,29,31)
InChIKeyWQELGKMYZWCCDH-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.78
Rot. Bonds9

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide (PubChem CID 153234256) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
PubChem CID153234256
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
SMILESC=CC(=O)CCc1ccc(-c2cccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)c2)cn1
InChIInChI=1S/C25H26N4O2/c1-3-22(30)12-11-21-10-9-20(15-26-21)19-6-4-5-18(13-19)16(2)25(31)27-24-14-23(28-29-24)17-7-8-17/h3-6,9-10,13-17H,1,7-8,11-12H2,2H3,(H2,27,28,29,31)
InChIKeyWQELGKMYZWCCDH-UHFFFAOYSA-N
XLogP4.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-pyrazin-2-ylphenyl)propanamide
CID 160563832
(E)-N-[5-[3-[(2S)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]-4-[(2R)-2-methylpyrrolidin-1-yl]but-2-enamide
CID 145196955
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-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-fluoro-4-(prop-2-enoylamino)phenyl]phenyl]-3-methylbutanamide
CID 134562634
(E)-4-[(2S)-2-cyanopyrrolidin-1-yl]-N-[5-[3-[1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]but-2-enamide
CID 134562613
(E)-4-(2-cyanopyrrolidin-1-yl)-N-[5-[3-[(2S)-1-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]phenyl]-2-pyridinyl]but-2-enamide
CID 170336488
(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-[3-[6-[(E)-2-oxo-5-pyrrolidin-1-ylpent-3-enyl]pyrazin-2-yl]phenyl]propanamide
CID 161117287
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methyl-2-[3-[6-[[(3E)-5-pyrrolidin-1-ylpenta-1,3-dien-2-yl]amino]-3-pyridinyl]phenyl]butanamide
CID 170336448
(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
(2R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-pyridin-3-ylpropanamide
CID 164630164

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide (CID 153234256) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide is C=CC(=O)CCc1ccc(-c2cccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)c2)cn1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide?
The InChIKey is WQELGKMYZWCCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-3-22(30)12-11-21-10-9-20(15-26-21)19-6-4-5-18(13-19)16(2)25(31)27-24-14-23(28-29-24)17-7-8-17/h3-6,9-10,13-17H,1,7-8,11-12H2,2H3,(H2,27,28,29,31).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide is sourced from PubChem (CID 153234256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).