2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide

C13H13N5O — CID 61102362

IUPAC2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
SMILESN#Cc1cccc(CNC(=O)Cn2cc(N)cn2)c1
InChIInChI=1S/C13H13N5O/c14-5-10-2-1-3-11(4-10)6-16-13(19)9-18-8-12(15)7-17-18/h1-4,7-8H,6,9,15H2,(H,16,19)
InChIKeyUQXRMVSGWSCTKP-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.65
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide

2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide (PubChem CID 61102362) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
PubChem CID61102362
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
SMILESN#Cc1cccc(CNC(=O)Cn2cc(N)cn2)c1
InChIInChI=1S/C13H13N5O/c14-5-10-2-1-3-11(4-10)6-16-13(19)9-18-8-12(15)7-17-18/h1-4,7-8H,6,9,15H2,(H,16,19)
InChIKeyUQXRMVSGWSCTKP-UHFFFAOYSA-N
XLogP0.65
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-benzylacetamide
CID 28973852
2-(5-amino-2-oxo-1-pyridinyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62814607
2-(4-aminophenoxy)-N-[(3-cyanophenyl)methyl]acetamide
CID 61103319
2-(5-amino-2-pyridinyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 107337886
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104847822
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
2-(4-aminopyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43445218
2-amino-N-[(3-cyanophenyl)methyl]-6-methylbenzamide
CID 61102170
N-[(3-cyanophenyl)methyl]-4-(methylamino)butanamide
CID 54936460

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide (CID 61102362) is 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide is N#Cc1cccc(CNC(=O)Cn2cc(N)cn2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide?
The InChIKey is UQXRMVSGWSCTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c14-5-10-2-1-3-11(4-10)6-16-13(19)9-18-8-12(15)7-17-18/h1-4,7-8H,6,9,15H2,(H,16,19).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide?
2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide has a molecular weight of 255.28 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 61102362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).