trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide

C17H21N3O — CID 95617250

IUPACtrans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)n1
InChIInChI=1S/C17H21N3O/c1-11-7-16(11)17(21)18-15-6-4-5-14(9-15)10-20-13(3)8-12(2)19-20/h4-6,8-9,11,16H,7,10H2,1-3H3,(H,18,21)/t11-,16-/m0/s1
InChIKeyFFONRQNZMCSKMW-ZBEGNZNMSA-N
MW283.38 g/mol
LogP3.14
Rot. Bonds4

About trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 95617250) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID95617250
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Nametrans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)n1
InChIInChI=1S/C17H21N3O/c1-11-7-16(11)17(21)18-15-6-4-5-14(9-15)10-20-13(3)8-12(2)19-20/h4-6,8-9,11,16H,7,10H2,1-3H3,(H,18,21)/t11-,16-/m0/s1
InChIKeyFFONRQNZMCSKMW-ZBEGNZNMSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 86903481
(1R,2S,3S,4R)-3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99773966
(1R,2R,3S,4R)-3-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124864826
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-ethylbutanediamide
CID 146087761
1-cyclopropyl-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-(2-hydroxyethyl)urea
CID 111110138
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 95775635
(3R,5R)-3-[3-[(3,5-dimethylpyrazol-1-yl)methyl]anilino]-5-methyloxolan-2-one
CID 95624679
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86901727
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86902460
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]acetamide
CID 19525235
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519175

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide (CID 95617250) is trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide is Cc1cc(C)n(Cc2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)n1.
What is the InChIKey of trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is FFONRQNZMCSKMW-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-7-16(11)17(21)18-15-6-4-5-14(9-15)10-20-13(3)8-12(2)19-20/h4-6,8-9,11,16H,7,10H2,1-3H3,(H,18,21)/t11-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95617250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).