1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

C21H22N6O2 — CID 146096249

IUPAC1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
SMILESCc1cccc(NC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1C(=O)N1CCCC1
InChIInChI=1S/C21H22N6O2/c1-14-5-4-6-16(19(14)20(28)27-11-2-3-12-27)23-21(29)24-18-13-17(25-26-18)15-7-9-22-10-8-15/h4-10,13H,2-3,11-12H2,1H3,(H3,23,24,25,26,29)
InChIKeyPJIPNOCPNANRDY-UHFFFAOYSA-N
MW390.45 g/mol
LogP3.66
Rot. Bonds4

About 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea (PubChem CID 146096249) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
PubChem CID146096249
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
SMILESCc1cccc(NC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1C(=O)N1CCCC1
InChIInChI=1S/C21H22N6O2/c1-14-5-4-6-16(19(14)20(28)27-11-2-3-12-27)23-21(29)24-18-13-17(25-26-18)15-7-9-22-10-8-15/h4-10,13H,2-3,11-12H2,1H3,(H3,23,24,25,26,29)
InChIKeyPJIPNOCPNANRDY-UHFFFAOYSA-N
XLogP3.66
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119285186
1-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-3-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 154873617
1-[(2-methoxy-4-pyridinyl)methyl]-3-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86989203
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
2-(2-ethoxyphenoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55715273
2-(cyclopropylmethoxy)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 51080949
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 110471886
5,6-dichloro-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55776635
3-methyl-N-(5-pyridin-4-yl-1H-pyrazol-3-yl)benzamide
CID 95753070
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
2-methyl-3-(methylamino)-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119715817
3-amino-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 119715820

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?
The IUPAC name of 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea (CID 146096249) is 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea.
What is the SMILES notation for 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?
The canonical SMILES for 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea is Cc1cccc(NC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1C(=O)N1CCCC1.
What is the InChIKey of 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?
The InChIKey is PJIPNOCPNANRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-5-4-6-16(19(14)20(28)27-11-2-3-12-27)23-21(29)24-18-13-17(25-26-18)15-7-9-22-10-8-15/h4-10,13H,2-3,11-12H2,1H3,(H3,23,24,25,26,29).
What are the key properties of 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?
1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea has a molecular weight of 390.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 146096249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).