trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide

C13H15F2N5O — CID 155955606

IUPACtrans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1C[C@H]1c1ccn(C)n1
InChIInChI=1S/C13H15F2N5O/c1-6-10(11(12(14)15)18-17-6)16-13(21)8-5-7(8)9-3-4-20(2)19-9/h3-4,7-8,12H,5H2,1-2H3,(H,16,21)(H,17,18)/t7-,8-/m1/s1
InChIKeyGRUDEFPKOLKGNG-HTQZYQBOSA-N
MW295.29 g/mol
LogP2.13
Rot. Bonds4

About trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 155955606) has the molecular formula C13H15F2N5O and a molecular weight of 295.29 g/mol. Its IUPAC name is trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID155955606
Molecular FormulaC13H15F2N5O
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Nametrans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1C[C@H]1c1ccn(C)n1
InChIInChI=1S/C13H15F2N5O/c1-6-10(11(12(14)15)18-17-6)16-13(21)8-5-7(8)9-3-4-20(2)19-9/h3-4,7-8,12H,5H2,1-2H3,(H,16,21)(H,17,18)/t7-,8-/m1/s1
InChIKeyGRUDEFPKOLKGNG-HTQZYQBOSA-N
XLogP2.13
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066705
4-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 138997881
(3R)-1-benzyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]piperidine-3-carboxamide
CID 124882392
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1-propanoylpyrrolidine-3-carboxamide
CID 146131543
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide
CID 138997880
cis-(1S,2R)-2-(4-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94814319
2-(3-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 49158091
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-hydroxycyclopentyl)acetamide
CID 146086979
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 4771819
trans-(1S,2S)-N-[7-chloro-6-[4-[(3S,4S)-4-fluoro-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 163277915
cis-(1R,2S)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 136759892

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 155955606) is trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide is Cc1[nH]nc(C(F)F)c1NC(=O)[C@@H]1C[C@H]1c1ccn(C)n1.
What is the InChIKey of trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is GRUDEFPKOLKGNG-HTQZYQBOSA-N. The full InChI is InChI=1S/C13H15F2N5O/c1-6-10(11(12(14)15)18-17-6)16-13(21)8-5-7(8)9-3-4-20(2)19-9/h3-4,7-8,12H,5H2,1-2H3,(H,16,21)(H,17,18)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 155955606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).