(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide

C20H23N5O — CID 19284952

IUPAC(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)Nc2ccn(Cc3ccccc3C)n2)c1C
InChIInChI=1S/C20H23N5O/c1-4-25-16(3)17(13-21-25)9-10-20(26)22-19-11-12-24(23-19)14-18-8-6-5-7-15(18)2/h5-13H,4,14H2,1-3H3,(H,22,23,26)/b10-9+
InChIKeyNJBXPXKHNZNHQJ-MDZDMXLPSA-N
MW349.44 g/mol
LogP3.42
Rot. Bonds6

About (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide

(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide (PubChem CID 19284952) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
PubChem CID19284952
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)Nc2ccn(Cc3ccccc3C)n2)c1C
InChIInChI=1S/C20H23N5O/c1-4-25-16(3)17(13-21-25)9-10-20(26)22-19-11-12-24(23-19)14-18-8-6-5-7-15(18)2/h5-13H,4,14H2,1-3H3,(H,22,23,26)/b10-9+
InChIKeyNJBXPXKHNZNHQJ-MDZDMXLPSA-N
XLogP3.42
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.42
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

1-(1-ethyl-5-methylpyrazol-4-yl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 19344538
(E)-N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enamide
CID 19287715
(E)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19285567
1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
CID 19474492
1-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-methyl-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 19462434
2,5-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]furan-3-carboxamide
CID 35274045
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
2-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500485
(E)-3-(2-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19406967
4-iodo-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264112
1-(3-acetylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]urea
CID 35274053

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide (CID 19284952) is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide is CCn1ncc(/C=C/C(=O)Nc2ccn(Cc3ccccc3C)n2)c1C.
What is the InChIKey of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide?
The InChIKey is NJBXPXKHNZNHQJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H23N5O/c1-4-25-16(3)17(13-21-25)9-10-20(26)22-19-11-12-24(23-19)14-18-8-6-5-7-15(18)2/h5-13H,4,14H2,1-3H3,(H,22,23,26)/b10-9+.
What are the key properties of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide?
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide has a molecular weight of 349.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]prop-2-enamide is sourced from PubChem (CID 19284952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).