[3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea

C19H25N5O2 — CID 56712626

IUPAC[3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C19H25N5O2/c20-19(26)21-9-6-18(25)24-10-7-15(8-11-24)17-13-16(22-23-17)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,22,23)(H3,20,21,26)
InChIKeySIWLLCDYIDMBRV-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.76
Rot. Bonds6

About [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea

[3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea (PubChem CID 56712626) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea.

Molecular Properties

Compound Name[3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea
PubChem CID56712626
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea
SMILESNC(=O)NCCC(=O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1
InChIInChI=1S/C19H25N5O2/c20-19(26)21-9-6-18(25)24-10-7-15(8-11-24)17-13-16(22-23-17)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,22,23)(H3,20,21,26)
InChIKeySIWLLCDYIDMBRV-UHFFFAOYSA-N
XLogP1.76
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
1-(3-Phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 7694334
4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piperidine
CID 10520941
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790850
6-[5-(1-benzyl-2-oxo-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-1H-pyrimidin-2-one
CID 122186071
4-(aminomethyl)-N-[(1S)-2-phenyl-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 66674764
1-cyano-N-(5-phenyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 141758453
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24794196
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24819218
(2R)-2-cyclohexyl-2-(diaminomethylideneamino)-N-[2-[4-[3-(2-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 11443001
4-(3-phenyl-1H-pyrazol-5-yl)piperidine
CID 66490949
3-cyclopentyl-6-methyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121443451

Frequently Asked Questions

What is the IUPAC name of [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea?
The IUPAC name of [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea (CID 56712626) is [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea.
What is the SMILES notation for [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea?
The canonical SMILES for [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea is NC(=O)NCCC(=O)N1CCC(c2cc(Cc3ccccc3)[nH]n2)CC1.
What is the InChIKey of [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea?
The InChIKey is SIWLLCDYIDMBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c20-19(26)21-9-6-18(25)24-10-7-15(8-11-24)17-13-16(22-23-17)12-14-4-2-1-3-5-14/h1-5,13,15H,6-12H2,(H,22,23)(H3,20,21,26).
What are the key properties of [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea?
[3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea has a molecular weight of 355.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(5-benzyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]urea is sourced from PubChem (CID 56712626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).