[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone

C15H17ClN4O — CID 107108689

IUPAC[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
SMILESNc1ccn(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C15H17ClN4O/c16-12-3-1-11(2-4-12)15(21)19-8-5-13(6-9-19)20-10-7-14(17)18-20/h1-4,7,10,13H,5-6,8-9H2,(H2,17,18)
InChIKeyUJCCNINFWRARMY-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.60
Rot. Bonds2

About [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone

[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone (PubChem CID 107108689) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
PubChem CID107108689
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone
SMILESNc1ccn(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C15H17ClN4O/c16-12-3-1-11(2-4-12)15(21)19-8-5-13(6-9-19)20-10-7-14(17)18-20/h1-4,7,10,13H,5-6,8-9H2,(H2,17,18)
InChIKeyUJCCNINFWRARMY-UHFFFAOYSA-N
XLogP2.60
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-iodophenyl)methanone
CID 107109167
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 107108858
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 107108777
(4-chlorophenyl)-(4-imidazol-1-ylpiperidin-1-yl)methanone
CID 47089047
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-cyclopropylethanone
CID 107108865
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443
[3-(3-aminopyrazol-1-yl)azetidin-1-yl]-(4-methylphenyl)methanone;ethane
CID 145081662
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107175008
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 107109147
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
1-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methoxyethanone
CID 107109068

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone (CID 107108689) is [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone is Nc1ccn(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone?
The InChIKey is UJCCNINFWRARMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-3-1-11(2-4-12)15(21)19-8-5-13(6-9-19)20-10-7-14(17)18-20/h1-4,7,10,13H,5-6,8-9H2,(H2,17,18).
What are the key properties of [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone?
[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone has a molecular weight of 304.78 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopyrazol-1-yl)piperidin-1-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 107108689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).