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

C25H26N4O2 — CID 155168084

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide
SMILESC=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1
InChIInChI=1S/C25H26N4O2/c1-3-24(30)26-15-17-4-6-19(7-5-17)20-10-8-18(9-11-20)16(2)25(31)27-23-14-22(28-29-23)21-12-13-21/h3-11,14,16,21H,1,12-13,15H2,2H3,(H,26,30)(H2,27,28,29,31)
InChIKeyZIAQTARFHIBGJS-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.50
Rot. Bonds8

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide (PubChem CID 155168084) 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-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide
PubChem CID155168084
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide
SMILESC=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1
InChIInChI=1S/C25H26N4O2/c1-3-24(30)26-15-17-4-6-19(7-5-17)20-10-8-18(9-11-20)16(2)25(31)27-23-14-22(28-29-23)21-12-13-21/h3-11,14,16,21H,1,12-13,15H2,2H3,(H,26,30)(H2,27,28,29,31)
InChIKeyZIAQTARFHIBGJS-UHFFFAOYSA-N
XLogP4.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.50
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

(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
CID 155168097
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-[3-[6-(3-oxopent-4-enyl)-3-pyridinyl]phenyl]propanamide
CID 153234256
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
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
(2R)-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-pyridin-3-ylpropanamide
CID 164630164
(3E)-3-bromopenta-1,3-diene;5-cyclopropyl-N-methyl-1H-pyrazol-3-amine;ethane;N-[[4-[4-(1-oxopropan-2-yl)phenyl]phenyl]methyl]formamide;prop-1-ene
CID 155703038

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide (CID 155168084) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide is C=CC(=O)NCc1ccc(-c2ccc(C(C)C(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide?
The InChIKey is ZIAQTARFHIBGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-3-24(30)26-15-17-4-6-19(7-5-17)20-10-8-18(9-11-20)16(2)25(31)27-23-14-22(28-29-23)21-12-13-21/h3-11,14,16,21H,1,12-13,15H2,2H3,(H,26,30)(H2,27,28,29,31).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[4-[(prop-2-enoylamino)methyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 155168084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).