N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide

C15H21N3O2S — CID 95776187

IUPACN-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C15H21N3O2S/c1-10(2)12-5-6-21-13(12)14(19)16-9-15(3,20)11-7-17-18(4)8-11/h5-8,10,20H,9H2,1-4H3,(H,16,19)/t15-/m0/s1
InChIKeyWLBLFMLBMHPYQX-HNNXBMFYSA-N
MW307.42 g/mol
LogP2.24
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide

N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide (PubChem CID 95776187) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
PubChem CID95776187
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)c1ccsc1C(=O)NC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C15H21N3O2S/c1-10(2)12-5-6-21-13(12)14(19)16-9-15(3,20)11-7-17-18(4)8-11/h5-8,10,20H,9H2,1-4H3,(H,16,19)/t15-/m0/s1
InChIKeyWLBLFMLBMHPYQX-HNNXBMFYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 111458688
4-bromo-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458599
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
3,4-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111458799
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 111458083
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,3-dimethylbenzamide
CID 111458743
2,5-dichloro-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]thiophene-3-carboxamide
CID 111458654
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(2-hydroxyphenyl)acetamide
CID 111458725
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
5-fluoro-2-hydroxy-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzamide
CID 111664836

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide (CID 95776187) is N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide is CC(C)c1ccsc1C(=O)NC[C@](C)(O)c1cnn(C)c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide?
The InChIKey is WLBLFMLBMHPYQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(2)12-5-6-21-13(12)14(19)16-9-15(3,20)11-7-17-18(4)8-11/h5-8,10,20H,9H2,1-4H3,(H,16,19)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide?
N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 95776187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).