1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

C20H22N6O — CID 47040323

IUPAC1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H22N6O/c27-20(24-17-8-9-19(21-14-17)25-10-4-5-11-25)22-12-16-13-23-26(15-16)18-6-2-1-3-7-18/h1-3,6-9,13-15H,4-5,10-12H2,(H2,22,24,27)
InChIKeyOGABEFMVXIOCFH-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.19
Rot. Bonds5

About 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea

1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (PubChem CID 47040323) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
PubChem CID47040323
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C20H22N6O/c27-20(24-17-8-9-19(21-14-17)25-10-4-5-11-25)22-12-16-13-23-26(15-16)18-6-2-1-3-7-18/h1-3,6-9,13-15H,4-5,10-12H2,(H2,22,24,27)
InChIKeyOGABEFMVXIOCFH-UHFFFAOYSA-N
XLogP3.19
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55819530
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 55590547
1-naphthalen-2-yl-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 78871810
1-(6-pyrrolidin-1-yl-3-pyridinyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 55740451
4-hydroxy-1-phenyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazole-3-carboxamide
CID 126777508
N-[(1-phenylpyrazol-4-yl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 86918805
1-[2-(dimethylamino)-2-phenylethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 55740490
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
1-[(1-phenylpyrazol-4-yl)methyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
CID 112825128
1-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-[3-(5-methylpyrazol-1-yl)phenyl]urea
CID 56554495
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
4-acetyl-N-[(1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 51084104

Frequently Asked Questions

What is the IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea (CID 47040323) is 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
The InChIKey is OGABEFMVXIOCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(24-17-8-9-19(21-14-17)25-10-4-5-11-25)22-12-16-13-23-26(15-16)18-6-2-1-3-7-18/h1-3,6-9,13-15H,4-5,10-12H2,(H2,22,24,27).
What are the key properties of 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea?
1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea has a molecular weight of 362.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-phenylpyrazol-4-yl)methyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea is sourced from PubChem (CID 47040323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).