N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide

C15H17N5O — CID 99857495

IUPACN-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N5O/c1-19(2)11-15(21)18-14(8-16)12-9-17-20(10-12)13-6-4-3-5-7-13/h3-7,9-10,14H,11H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyDAVCPMSWAXJKSS-CQSZACIVSA-N
MW283.33 g/mol
LogP1.11
Rot. Bonds5

About N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide

N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide (PubChem CID 99857495) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide
PubChem CID99857495
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N5O/c1-19(2)11-15(21)18-14(8-16)12-9-17-20(10-12)13-6-4-3-5-7-13/h3-7,9-10,14H,11H2,1-2H3,(H,18,21)/t14-/m1/s1
InChIKeyDAVCPMSWAXJKSS-CQSZACIVSA-N
XLogP1.11
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-3-(4-fluorophenyl)propanamide
CID 95159954
N-[cyano-(1-phenylpyrazol-4-yl)methyl]-3-cyclobutylpropanamide
CID 75376755
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 97247015
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 95237324
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 97069293
cis-(1S,2R)-N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-nitrocyclopropane-1-carboxamide
CID 124736796
5-bromo-N-[cyano-(1-phenylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 167972145
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
CID 79412762
(3S)-3-acetamido-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 63650204
N-methyl-2-[[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]acetyl]amino]-2-phenylacetamide
CID 87014725
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005442

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide (CID 99857495) is N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)N[C@H](C#N)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide?
The InChIKey is DAVCPMSWAXJKSS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N5O/c1-19(2)11-15(21)18-14(8-16)12-9-17-20(10-12)13-6-4-3-5-7-13/h3-7,9-10,14H,11H2,1-2H3,(H,18,21)/t14-/m1/s1.
What are the key properties of N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide?
N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide has a molecular weight of 283.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyano-(1-phenylpyrazol-4-yl)methyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 99857495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).