(E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

C13H17N5O — CID 19292725

IUPAC(E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2cnn(C)c2)n(C)n1
InChIInChI=1S/C13H17N5O/c1-10-6-12(18(3)16-10)8-14-13(19)5-4-11-7-15-17(2)9-11/h4-7,9H,8H2,1-3H3,(H,14,19)/b5-4+
InChIKeyRORFVCPIECWYER-SNAWJCMRSA-N
MW259.31 g/mol
LogP0.79
Rot. Bonds4

About (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

(E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide (PubChem CID 19292725) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
PubChem CID19292725
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
SMILESCc1cc(CNC(=O)/C=C/c2cnn(C)c2)n(C)n1
InChIInChI=1S/C13H17N5O/c1-10-6-12(18(3)16-10)8-14-13(19)5-4-11-7-15-17(2)9-11/h4-7,9H,8H2,1-3H3,(H,14,19)/b5-4+
InChIKeyRORFVCPIECWYER-SNAWJCMRSA-N
XLogP0.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19571682
(E)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19293644
(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19329117
(E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 19292693
(E)-N-(2-chloroprop-2-enyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 115636816
(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19292658
4-methyl-2-[[3-(1-methylpyrazol-4-yl)prop-2-enoylamino]methyl]-1,3-thiazole-5-carboxylic acid
CID 77002576
(E)-3-(1-methylpyrazol-4-yl)-N-pentan-3-ylprop-2-enamide
CID 24680958
N-(1,3-dihydroxypropan-2-yl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 77064998
(E)-3-(1-methylpyrazol-4-yl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115628045
(E)-3-(1-methylpyrazol-4-yl)-N-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 19393377
(1E,4E)-1,5-bis(1-methylpyrazol-4-yl)penta-1,4-dien-3-one
CID 122177397

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide (CID 19292725) is (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide is Cc1cc(CNC(=O)/C=C/c2cnn(C)c2)n(C)n1.
What is the InChIKey of (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
The InChIKey is RORFVCPIECWYER-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-6-12(18(3)16-10)8-14-13(19)5-4-11-7-15-17(2)9-11/h4-7,9H,8H2,1-3H3,(H,14,19)/b5-4+.
What are the key properties of (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide?
(E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide has a molecular weight of 259.31 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 19292725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).