trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C15H19N5O — CID 136587817

IUPACtrans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)Nc2ccnn2C2CCC2)cn1
InChIInChI=1S/C15H19N5O/c1-19-9-10(8-17-19)12-7-13(12)15(21)18-14-5-6-16-20(14)11-3-2-4-11/h5-6,8-9,11-13H,2-4,7H2,1H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyMWMIERSNTJQWLB-QWHCGFSZSA-N
MW285.35 g/mol
LogP2.08
Rot. Bonds4

About trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 136587817) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID136587817
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Nametrans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCn1cc([C@@H]2C[C@H]2C(=O)Nc2ccnn2C2CCC2)cn1
InChIInChI=1S/C15H19N5O/c1-19-9-10(8-17-19)12-7-13(12)15(21)18-14-5-6-16-20(14)11-3-2-4-11/h5-6,8-9,11-13H,2-4,7H2,1H3,(H,18,21)/t12-,13+/m0/s1
InChIKeyMWMIERSNTJQWLB-QWHCGFSZSA-N
XLogP2.08
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
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CID 71935709
cis-(1R,2S)-N-(1-cyclohexylbenzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95348568
trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049899
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]cyclopropane-1-carboxamide
CID 126796439
(3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918896
trans-(1R,2R)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307559
cis-(1R,2S)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307560
cis-(1S,2R)-2-(1-methylpyrazol-4-yl)-N-(9H-xanthen-9-yl)cyclopropane-1-carboxamide
CID 95307557
(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
trans-(1R,2R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 136587817) is trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccnn2C2CCC2)cn1.
What is the InChIKey of trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is MWMIERSNTJQWLB-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-9-10(8-17-19)12-7-13(12)15(21)18-14-5-6-16-20(14)11-3-2-4-11/h5-6,8-9,11-13H,2-4,7H2,1H3,(H,18,21)/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-cyclobutylpyrazol-3-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 136587817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).