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

C19H22N4O2 — CID 155168098

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
SMILESC=CC(=O)NCc1ccc(C(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)
InChIKeyTWXVAVWRCUJVMO-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.83
Rot. Bonds7

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide (PubChem CID 155168098) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
PubChem CID155168098
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide
SMILESC=CC(=O)NCc1ccc(C(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)
InChIKeyTWXVAVWRCUJVMO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide (CID 155168098) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide is C=CC(=O)NCc1ccc(C(C)C(=O)Nc2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide?
The InChIKey is TWXVAVWRCUJVMO-UHFFFAOYSA-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).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide?
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 N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-[(prop-2-enoylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 155168098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).