1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea

C19H24N6O — CID 118795762

IUPAC1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(CNC(=O)Nc2c(C)c(-c3ccccc3)nn2C)c(C)n1
InChIInChI=1S/C19H24N6O/c1-5-25-12-16(14(3)22-25)11-20-19(26)21-18-13(2)17(23-24(18)4)15-9-7-6-8-10-15/h6-10,12H,5,11H2,1-4H3,(H2,20,21,26)
InChIKeyFKHKSITWAVGIHT-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.24
Rot. Bonds5

About 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea

1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea (PubChem CID 118795762) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
PubChem CID118795762
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
SMILESCCn1cc(CNC(=O)Nc2c(C)c(-c3ccccc3)nn2C)c(C)n1
InChIInChI=1S/C19H24N6O/c1-5-25-12-16(14(3)22-25)11-20-19(26)21-18-13(2)17(23-24(18)4)15-9-7-6-8-10-15/h6-10,12H,5,11H2,1-4H3,(H2,20,21,26)
InChIKeyFKHKSITWAVGIHT-UHFFFAOYSA-N
XLogP3.24
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(5-pyrazoyl)urea derivative 1
CID 90168931
N-(3,5-dimethylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815275
1-(4-Bromo-1-methylpyrazol-5-yl)-3-(2-ethyl-6-methylphenyl)urea
CID 2808950
1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-pyridin-4-ylmethyl-phenyl)-urea
CID 9969008
1-[1-(cyclopropylmethyl)-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372990
1-[1-(cyclopropylmethyl)-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373027
1-[1-methyl-3-[4-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373032
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 123583803
N-ethyl-3-phenyl-4-(1H-1,2,4-triazol-1-yl)-1H-pyrazole-1-carboxamide
CID 1486536
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea
CID 10948445
N-(1-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24790106
N-(1-{1-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24819374

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea (CID 118795762) is 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea is CCn1cc(CNC(=O)Nc2c(C)c(-c3ccccc3)nn2C)c(C)n1.
What is the InChIKey of 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea?
The InChIKey is FKHKSITWAVGIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-5-25-12-16(14(3)22-25)11-20-19(26)21-18-13(2)17(23-24(18)4)15-9-7-6-8-10-15/h6-10,12H,5,11H2,1-4H3,(H2,20,21,26).
What are the key properties of 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea?
1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea has a molecular weight of 352.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 118795762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).