[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C17H23N5O — CID 95781157

IUPAC[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)C2)n[nH]1
InChIInChI=1S/C17H23N5O/c1-11-6-16(20-19-11)12-4-3-5-22(10-12)17(23)15-7-14(15)13-8-18-21(2)9-13/h6,8-9,12,14-15H,3-5,7,10H2,1-2H3,(H,19,20)/t12-,14-,15-/m1/s1
InChIKeyCKLGKNXXYPBODE-BPLDGKMQSA-N
MW313.41 g/mol
LogP1.96
Rot. Bonds3

About [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 95781157) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID95781157
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)C2)n[nH]1
InChIInChI=1S/C17H23N5O/c1-11-6-16(20-19-11)12-4-3-5-22(10-12)17(23)15-7-14(15)13-8-18-21(2)9-13/h6,8-9,12,14-15H,3-5,7,10H2,1-2H3,(H,19,20)/t12-,14-,15-/m1/s1
InChIKeyCKLGKNXXYPBODE-BPLDGKMQSA-N
XLogP1.96
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 100871926
[(3R)-3-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124742151
(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926857
(4-cyclopentylpiperazin-1-yl)-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590738
(4-cyclopentylpiperazin-1-yl)-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590740
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
CID 97004471
(3R)-3-(5-methyl-1H-pyrazol-3-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]piperidine
CID 97004575
1-cyclopropyl-4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71926859
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 97004266
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
(3,5-dimethoxy-4-methylphenyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514461
(2,5-dimethylfuran-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004395

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 95781157) is [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)C2)n[nH]1.
What is the InChIKey of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is CKLGKNXXYPBODE-BPLDGKMQSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-6-16(20-19-11)12-4-3-5-22(10-12)17(23)15-7-14(15)13-8-18-21(2)9-13/h6,8-9,12,14-15H,3-5,7,10H2,1-2H3,(H,19,20)/t12-,14-,15-/m1/s1.
What are the key properties of [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 313.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95781157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).