1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone

C20H22N6O2 — CID 92575888

IUPAC1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESNc1c(C(=O)C2CCN(C(=O)Cn3ccnc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H22N6O2/c21-20-17(12-23-26(20)16-4-2-1-3-5-16)19(28)15-6-9-25(10-7-15)18(27)13-24-11-8-22-14-24/h1-5,8,11-12,14-15H,6-7,9-10,13,21H2
InChIKeyQQPSVNYSZMYEOH-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.77
Rot. Bonds5

About 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone

1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 92575888) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID92575888
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESNc1c(C(=O)C2CCN(C(=O)Cn3ccnc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C20H22N6O2/c21-20-17(12-23-26(20)16-4-2-1-3-5-16)19(28)15-6-9-25(10-7-15)18(27)13-24-11-8-22-14-24/h1-5,8,11-12,14-15H,6-7,9-10,13,21H2
InChIKeyQQPSVNYSZMYEOH-UHFFFAOYSA-N
XLogP1.77
TPSA99.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
1-[2-[(3R)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 92575852
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110239743
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 110239744
5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56710639
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110239741
1-[2-[2-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-2-oxoethoxy]ethyl]pyrrolidin-2-one
CID 110239748
1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
CID 110239747
1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 92558500
N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
CID 92558546
1-[(3S)-3-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92603392

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone (CID 92575888) is 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone is Nc1c(C(=O)C2CCN(C(=O)Cn3ccnc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is QQPSVNYSZMYEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c21-20-17(12-23-26(20)16-4-2-1-3-5-16)19(28)15-6-9-25(10-7-15)18(27)13-24-11-8-22-14-24/h1-5,8,11-12,14-15H,6-7,9-10,13,21H2.
What are the key properties of 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone?
1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 378.44 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1-phenylpyrazole-4-carbonyl)piperidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 92575888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).