N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide

C16H21N3OS — CID 97334506

IUPACN,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide
SMILESCSC[C@H](C)N(C)C(=O)c1cnn(C)c1-c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-12(11-21-4)18(2)16(20)14-10-17-19(3)15(14)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/t12-/m0/s1
InChIKeyWXDCVIWFVHLDMR-LBPRGKRZSA-N
MW303.43 g/mol
LogP2.91
Rot. Bonds5

About N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide

N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide (PubChem CID 97334506) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide
PubChem CID97334506
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide
SMILESCSC[C@H](C)N(C)C(=O)c1cnn(C)c1-c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-12(11-21-4)18(2)16(20)14-10-17-19(3)15(14)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/t12-/m0/s1
InChIKeyWXDCVIWFVHLDMR-LBPRGKRZSA-N
XLogP2.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069
N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide
CID 166198818
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112692105
4-methyl-2-[[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]methyl]pentanoic acid
CID 120528638
4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071045
2-(1-methyl-5-phenylpyrazol-4-yl)acetic acid
CID 105469697
N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
CID 155551859
2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide
CID 115330445
6-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 112692061
formamide;N,N,1-trimethyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4-carboxamide
CID 67775506

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide (CID 97334506) is N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide is CSC[C@H](C)N(C)C(=O)c1cnn(C)c1-c1ccccc1.
What is the InChIKey of N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide?
The InChIKey is WXDCVIWFVHLDMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(11-21-4)18(2)16(20)14-10-17-19(3)15(14)13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/t12-/m0/s1.
What are the key properties of N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide?
N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 97334506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).