N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide

C14H16N4O — CID 170775957

IUPACN-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide
SMILESN#Cc1cnn(C23CC(C2)C3)c1NC(=O)CC1CC1
InChIInChI=1S/C14H16N4O/c15-7-11-8-16-18(14-4-10(5-14)6-14)13(11)17-12(19)3-9-1-2-9/h8-10H,1-6H2,(H,17,19)
InChIKeyOMJHMCXBTRNACZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.00
Rot. Bonds4

About N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide

N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide (PubChem CID 170775957) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide.

Molecular Properties

Compound NameN-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide
PubChem CID170775957
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide
SMILESN#Cc1cnn(C23CC(C2)C3)c1NC(=O)CC1CC1
InChIInChI=1S/C14H16N4O/c15-7-11-8-16-18(14-4-10(5-14)6-14)13(11)17-12(19)3-9-1-2-9/h8-10H,1-6H2,(H,17,19)
InChIKeyOMJHMCXBTRNACZ-UHFFFAOYSA-N
XLogP2.00
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyano-1-methylpyrazol-5-yl)-2-(thian-4-yl)acetamide
CID 83137865
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103163607
N-(2-cyano-4-fluorophenyl)-2-(thian-4-yl)acetamide
CID 80709860
N-(4-cyano-1-methylpyrazol-3-yl)-2-cyclobutylacetamide
CID 103163618
2-amino-N-(4-cyano-1-methylpyrazol-5-yl)acetamide
CID 110470006
N-(2-cyanophenyl)-2-(oxan-4-yl)acetamide
CID 110864676
N-(3-cyanophenyl)-2-cyclopropylacetamide
CID 56828279
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908
N-[2-cyano-4-(trifluoromethyl)phenyl]-2-pyrrolidin-3-ylacetamide
CID 115911184
N-(4-cyano-1-methylpyrazol-5-yl)thiolane-3-carboxamide
CID 79503570
4-[[4-cyano-1-(2-hydroxyethyl)pyrazol-5-yl]amino]-4-oxobutanoic acid
CID 110481763

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide?
The IUPAC name of N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide (CID 170775957) is N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide.
What is the SMILES notation for N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide?
The canonical SMILES for N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide is N#Cc1cnn(C23CC(C2)C3)c1NC(=O)CC1CC1.
What is the InChIKey of N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide?
The InChIKey is OMJHMCXBTRNACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-7-11-8-16-18(14-4-10(5-14)6-14)13(11)17-12(19)3-9-1-2-9/h8-10H,1-6H2,(H,17,19).
What are the key properties of N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide?
N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide has a molecular weight of 256.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-bicyclo[1.1.1]pentanyl)-4-cyanopyrazol-5-yl]-2-cyclopropylacetamide is sourced from PubChem (CID 170775957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).