[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

C19H25N5O — CID 97044596

IUPAC[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESCc1cc(C)n(-c2ccc(N3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)nc2)n1
InChIInChI=1S/C19H25N5O/c1-13-10-17(13)19(25)23-8-6-22(7-9-23)18-5-4-16(12-20-18)24-15(3)11-14(2)21-24/h4-5,11-13,17H,6-10H2,1-3H3/t13-,17-/m1/s1
InChIKeyJCHWBIPFUHFJOU-CXAGYDPISA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds3

About [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone

[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (PubChem CID 97044596) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
PubChem CID97044596
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
SMILESCc1cc(C)n(-c2ccc(N3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)nc2)n1
InChIInChI=1S/C19H25N5O/c1-13-10-17(13)19(25)23-8-6-22(7-9-23)18-5-4-16(12-20-18)24-15(3)11-14(2)21-24/h4-5,11-13,17H,6-10H2,1-3H3/t13-,17-/m1/s1
InChIKeyJCHWBIPFUHFJOU-CXAGYDPISA-N
XLogP2.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone with MolForge

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Related Compounds

(3R)-1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 95785321
6-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]pyridazine-3-carboxylic acid
CID 66849323
cis-(1R,2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124623368
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(oxan-4-yl)methanone
CID 122337513
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55917792
1-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]propan-1-one
CID 112583735
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 122337980
1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 4974832
cis-(1S,2R)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 51673380
[4-(4-chlorophenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90520930
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[(7S)-7-methyl-1,4-thiazepan-4-yl]methanone
CID 99833538

Frequently Asked Questions

What is the IUPAC name of [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The IUPAC name of [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone (CID 97044596) is [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The canonical SMILES for [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is Cc1cc(C)n(-c2ccc(N3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)nc2)n1.
What is the InChIKey of [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
The InChIKey is JCHWBIPFUHFJOU-CXAGYDPISA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-10-17(13)19(25)23-8-6-22(7-9-23)18-5-4-16(12-20-18)24-15(3)11-14(2)21-24/h4-5,11-13,17H,6-10H2,1-3H3/t13-,17-/m1/s1.
What are the key properties of [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone?
[4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]piperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 97044596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).