[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone

C15H17N5O2 — CID 46987862

IUPAC[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESNc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)[nH]n1
InChIInChI=1S/C15H17N5O2/c16-13-10-12(17-18-13)15(22)20-8-6-19(7-9-20)14(21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,16,17,18)
InChIKeyQLZVPFOWBPNRMB-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.59
Rot. Bonds2

About [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone

[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 46987862) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID46987862
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESNc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)[nH]n1
InChIInChI=1S/C15H17N5O2/c16-13-10-12(17-18-13)15(22)20-8-6-19(7-9-20)14(21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,16,17,18)
InChIKeyQLZVPFOWBPNRMB-UHFFFAOYSA-N
XLogP0.59
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-amino-1H-pyrazol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 64523270
(3-amino-1H-pyrazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 64526002
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 64523296
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
3-[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]-4-benzyl-1H-1,2,4-triazol-5-one
CID 56703305
(3-amino-1H-pyrazol-5-yl)-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 56755359
(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283705
(3-amino-1H-pyrazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 64523295
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(3-amino-1H-pyrazol-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 64526017
2-[4-(3-amino-1H-pyrazole-5-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 64523096

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone (CID 46987862) is [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone is Nc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)[nH]n1.
What is the InChIKey of [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is QLZVPFOWBPNRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c16-13-10-12(17-18-13)15(22)20-8-6-19(7-9-20)14(21)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H3,16,17,18).
What are the key properties of [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 299.33 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1H-pyrazole-5-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 46987862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).