1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea

C19H23N5O — CID 108747189

IUPAC1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea
SMILESCCN(CC)C(=O)Nc1cc(C)nn1-c1cc(C)c2ccccc2n1
InChIInChI=1S/C19H23N5O/c1-5-23(6-2)19(25)21-18-12-14(4)22-24(18)17-11-13(3)15-9-7-8-10-16(15)20-17/h7-12H,5-6H2,1-4H3,(H,21,25)
InChIKeyDPDFQLOHEAMHIE-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.91
Rot. Bonds4

About 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea

1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea (PubChem CID 108747189) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea
PubChem CID108747189
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea
SMILESCCN(CC)C(=O)Nc1cc(C)nn1-c1cc(C)c2ccccc2n1
InChIInChI=1S/C19H23N5O/c1-5-23(6-2)19(25)21-18-12-14(4)22-24(18)17-11-13(3)15-9-7-8-10-16(15)20-17/h7-12H,5-6H2,1-4H3,(H,21,25)
InChIKeyDPDFQLOHEAMHIE-UHFFFAOYSA-N
XLogP3.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethyl-3-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)urea
CID 108746548
5-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]furan-2-carboxamide
CID 108747229
4-(4-methoxyphenyl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108747214
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide
CID 108800493
2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide
CID 108769282
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992
N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797709
4-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800928
2-bromo-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)butanamide
CID 108746538
methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 108747073
3-methyl-N-[5-methyl-2-(4,6,8-trimethylquinolin-2-yl)pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 108805486
ethyl 5-(methoxycarbonylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747535

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea?
The IUPAC name of 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea (CID 108747189) is 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea.
What is the SMILES notation for 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea?
The canonical SMILES for 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea is CCN(CC)C(=O)Nc1cc(C)nn1-c1cc(C)c2ccccc2n1.
What is the InChIKey of 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea?
The InChIKey is DPDFQLOHEAMHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-23(6-2)19(25)21-18-12-14(4)22-24(18)17-11-13(3)15-9-7-8-10-16(15)20-17/h7-12H,5-6H2,1-4H3,(H,21,25).
What are the key properties of 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea?
1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea has a molecular weight of 337.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea is sourced from PubChem (CID 108747189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).