N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide

C13H14N4O — CID 170699202

IUPACN-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Cn2cc(N)cn2)cc1
InChIInChI=1S/C13H14N4O/c1-2-13(18)16-12-5-3-10(4-6-12)8-17-9-11(14)7-15-17/h2-7,9H,1,8,14H2,(H,16,18)
InChIKeyIEWDBDNLUTWGDU-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.64
Rot. Bonds4

About N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide

N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide (PubChem CID 170699202) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide
PubChem CID170699202
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Cn2cc(N)cn2)cc1
InChIInChI=1S/C13H14N4O/c1-2-13(18)16-12-5-3-10(4-6-12)8-17-9-11(14)7-15-17/h2-7,9H,1,8,14H2,(H,16,18)
InChIKeyIEWDBDNLUTWGDU-UHFFFAOYSA-N
XLogP1.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.64
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-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
1-[(4-methylphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 16640517
1-(4-aminophenyl)-3-[[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methyl]urea
CID 135223350
N-[4-[[4-[[5-chloro-4-(1H-indazol-3-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]phenyl]prop-2-enamide
CID 170699248
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 82285149
2-(4-aminopyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 43445342
N-[4-[[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]pyrazol-1-yl]methyl]phenyl]prop-2-enamide
CID 170699264
1-[(4-chloro-3-methylphenyl)methyl]pyrazol-4-amine
CID 152953618
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
5-[(4-aminopyrazol-1-yl)methyl]furan-2-carboxylic acid;hydrochloride
CID 90484260
2-(4-aminopyrazol-1-yl)-N-[4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 61103923
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide (CID 170699202) is N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Cn2cc(N)cn2)cc1.
What is the InChIKey of N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide?
The InChIKey is IEWDBDNLUTWGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-13(18)16-12-5-3-10(4-6-12)8-17-9-11(14)7-15-17/h2-7,9H,1,8,14H2,(H,16,18).
What are the key properties of N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide?
N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide has a molecular weight of 242.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-aminopyrazol-1-yl)methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 170699202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).