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

C13H17N5O — CID 19292658

IUPAC(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)NCc2ccnn2C)cn1
InChIInChI=1S/C13H17N5O/c1-3-18-10-11(8-16-18)4-5-13(19)14-9-12-6-7-15-17(12)2/h4-8,10H,3,9H2,1-2H3,(H,14,19)/b5-4+
InChIKeyKMLHKWGVOJMATM-SNAWJCMRSA-N
MW259.31 g/mol
LogP0.97
Rot. Bonds5

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

(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide (PubChem CID 19292658) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
PubChem CID19292658
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)NCc2ccnn2C)cn1
InChIInChI=1S/C13H17N5O/c1-3-18-10-11(8-16-18)4-5-13(19)14-9-12-6-7-15-17(12)2/h4-8,10H,3,9H2,1-2H3,(H,14,19)/b5-4+
InChIKeyKMLHKWGVOJMATM-SNAWJCMRSA-N
XLogP0.97
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.97
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

N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 1235959
(E)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 844533
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844536
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844508
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844505
N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acrylamide
CID 844788
3-(1-ethyl-1H-pyrazol-4-yl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1235974
3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 844487
6-(1-Methyl-1h-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4(5h)-one
CID 121378358
N-[(2-methylpyrazol-3-yl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71891693
N-methyl-2-[4-(2-propylpyrazol-3-yl)pyrazol-1-yl]acetamide
CID 121513560
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 138026666

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide (CID 19292658) is (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide is CCn1cc(/C=C/C(=O)NCc2ccnn2C)cn1.
What is the InChIKey of (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide?
The InChIKey is KMLHKWGVOJMATM-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H17N5O/c1-3-18-10-11(8-16-18)4-5-13(19)14-9-12-6-7-15-17(12)2/h4-8,10H,3,9H2,1-2H3,(H,14,19)/b5-4+.
What are the key properties of (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide?
(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide has a molecular weight of 259.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 19292658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).