(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

C21H25N5OS — CID 42192308

IUPAC(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1
InChIInChI=1S/C21H25N5OS/c1-15(2)26-12-16(10-23-26)11-25-9-3-4-20(25)21(27)24-18-7-5-17(6-8-18)19-13-28-14-22-19/h5-8,10,12-15,20H,3-4,9,11H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyXBQABHCJNQOXAU-HXUWFJFHSA-N
MW395.53 g/mol
LogP4.19
Rot. Bonds6

About (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 42192308) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID42192308
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1
InChIInChI=1S/C21H25N5OS/c1-15(2)26-12-16(10-23-26)11-25-9-3-4-20(25)21(27)24-18-7-5-17(6-8-18)19-13-28-14-22-19/h5-8,10,12-15,20H,3-4,9,11H2,1-2H3,(H,24,27)/t20-/m1/s1
InChIKeyXBQABHCJNQOXAU-HXUWFJFHSA-N
XLogP4.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(1-ethylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 25366566
(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
N-[4-(1,3-thiazol-4-yl)phenyl]-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 45192719
(2R)-1-(cyclopropylmethyl)-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 26315736
(2R)-1-[(E)-2-methylbut-2-enyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42241276
1-[(1-methylimidazol-2-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 45243042
(2S)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42595262
(2R)-1-[(6-methyl-2-pyridinyl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42595260
(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 42099019
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408
1-methylsulfonyl-N-[4-(1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 72881399

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide (CID 42192308) is (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is CC(C)n1cc(CN2CCC[C@@H]2C(=O)Nc2ccc(-c3cscn3)cc2)cn1.
What is the InChIKey of (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is XBQABHCJNQOXAU-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-15(2)26-12-16(10-23-26)11-25-9-3-4-20(25)21(27)24-18-7-5-17(6-8-18)19-13-28-14-22-19/h5-8,10,12-15,20H,3-4,9,11H2,1-2H3,(H,24,27)/t20-/m1/s1.
What are the key properties of (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42192308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).