1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

C12H16N4O — CID 80592059

IUPAC1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1(C#N)CC1
InChIInChI=1S/C12H16N4O/c1-8-10(9(2)16(3)15-8)6-14-11(17)12(7-13)4-5-12/h4-6H2,1-3H3,(H,14,17)
InChIKeyOZKUCELTKQZPOR-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.96
Rot. Bonds3

About 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide

1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 80592059) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID80592059
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nn(C)c(C)c1CNC(=O)C1(C#N)CC1
InChIInChI=1S/C12H16N4O/c1-8-10(9(2)16(3)15-8)6-14-11(17)12(7-13)4-5-12/h4-6H2,1-3H3,(H,14,17)
InChIKeyOZKUCELTKQZPOR-UHFFFAOYSA-N
XLogP0.96
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 79036526
3-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236838
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119725175
4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 79231351
1-(4-fluorophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 110437942
1-(N'-hydroxycarbamimidoyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 79234525
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119725168
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 115665281
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]oxolane-3-carboxamide
CID 79236647

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 80592059) is 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is Cc1nn(C)c(C)c1CNC(=O)C1(C#N)CC1.
What is the InChIKey of 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is OZKUCELTKQZPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-10(9(2)16(3)15-8)6-14-11(17)12(7-13)4-5-12/h4-6H2,1-3H3,(H,14,17).
What are the key properties of 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide?
1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80592059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).