1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea

C20H22N6O — CID 53181782

IUPAC1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCCN(c2cc(-c3ccncc3)[nH]n2)C1
InChIInChI=1S/C20H22N6O/c27-20(22-16-5-2-1-3-6-16)23-17-7-4-12-26(14-17)19-13-18(24-25-19)15-8-10-21-11-9-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,24,25)(H2,22,23,27)
InChIKeyATSFMJBJUBAHGN-UHFFFAOYSA-N
MW362.44 g/mol
LogP3.26
Rot. Bonds4

About 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea

1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea (PubChem CID 53181782) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
PubChem CID53181782
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCCN(c2cc(-c3ccncc3)[nH]n2)C1
InChIInChI=1S/C20H22N6O/c27-20(22-16-5-2-1-3-6-16)23-17-7-4-12-26(14-17)19-13-18(24-25-19)15-8-10-21-11-9-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,24,25)(H2,22,23,27)
InChIKeyATSFMJBJUBAHGN-UHFFFAOYSA-N
XLogP3.26
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
CID 53181789
N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 53181017
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 91904766
1-[(4-methylphenyl)methyl]-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea
CID 53181800
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756157
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 99756595
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
CID 99740869
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]furan-3-carboxamide
CID 91914548
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea?
The IUPAC name of 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea (CID 53181782) is 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea.
What is the SMILES notation for 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea?
The canonical SMILES for 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea is O=C(Nc1ccccc1)NC1CCCN(c2cc(-c3ccncc3)[nH]n2)C1.
What is the InChIKey of 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea?
The InChIKey is ATSFMJBJUBAHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(22-16-5-2-1-3-6-16)23-17-7-4-12-26(14-17)19-13-18(24-25-19)15-8-10-21-11-9-15/h1-3,5-6,8-11,13,17H,4,7,12,14H2,(H,24,25)(H2,22,23,27).
What are the key properties of 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea?
1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea has a molecular weight of 362.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]urea is sourced from PubChem (CID 53181782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).