N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide

C10H14N4O — CID 63225000

IUPACN-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H14N4O/c1-8(4-5-11)14(3)10(15)9-6-12-13(2)7-9/h6-8H,4H2,1-3H3
InChIKeyICHWLWSZDFMZFU-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.79
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide

N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 63225000) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide
PubChem CID63225000
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide
SMILESCC(CC#N)N(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H14N4O/c1-8(4-5-11)14(3)10(15)9-6-12-13(2)7-9/h6-8H,4H2,1-3H3
InChIKeyICHWLWSZDFMZFU-UHFFFAOYSA-N
XLogP0.79
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 80664990
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 54913256
1-(azetidin-3-yl)-N-(1-cyanopropan-2-yl)-N-methyltriazole-4-carboxamide
CID 79316224
N-(1-cyanopropan-2-yl)-3,4-difluoro-N-methylbenzamide
CID 55175707
4-amino-N-(1-cyanopropan-2-yl)-3,5-difluoro-N-methylbenzamide
CID 55173776
N-(1-cyanopropan-2-yl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949105
6-[1-cyanopropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 55175516
1-(1-cyanopropan-2-yl)-1-methyl-3-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 86797514
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363642
3-methyl-4-oxo-4-(1-propylpyrazol-4-yl)butanenitrile
CID 103572527

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide (CID 63225000) is N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide is CC(CC#N)N(C)C(=O)c1cnn(C)c1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is ICHWLWSZDFMZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(4-5-11)14(3)10(15)9-6-12-13(2)7-9/h6-8H,4H2,1-3H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide?
N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63225000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).