1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide

C14H17N5O2S — CID 126947939

IUPAC1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCc1ncc(CC(=O)N2CCC(n3cc(C(N)=O)cn3)C2)s1
InChIInChI=1S/C14H17N5O2S/c1-9-16-6-12(22-9)4-13(20)18-3-2-11(8-18)19-7-10(5-17-19)14(15)21/h5-7,11H,2-4,8H2,1H3,(H2,15,21)
InChIKeyCPQISZGIJWEQLJ-UHFFFAOYSA-N
MW319.39 g/mol
LogP0.76
Rot. Bonds4

About 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide

1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126947939) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID126947939
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC Name1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCc1ncc(CC(=O)N2CCC(n3cc(C(N)=O)cn3)C2)s1
InChIInChI=1S/C14H17N5O2S/c1-9-16-6-12(22-9)4-13(20)18-3-2-11(8-18)19-7-10(5-17-19)14(15)21/h5-7,11H,2-4,8H2,1H3,(H2,15,21)
InChIKeyCPQISZGIJWEQLJ-UHFFFAOYSA-N
XLogP0.76
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-1-(2-methoxyacetyl)pyrrolidin-3-yl]pyrazole-4-carboxylic acid
CID 95804209
1-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948057
1-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948008
1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900922
1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
CID 175742679
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900915
4-[2-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-oxoethoxy]benzamide
CID 95383166
3-[3-(4-methylpyrazol-1-yl)pyrrolidine-1-carbonyl]benzamide
CID 136543844
1-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-(2-methyl-1,3-thiazol-5-yl)ethanone
CID 154884009
1-[1-[4-(dimethylamino)pyrimidin-2-yl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948012
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95280581
1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126947993

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 126947939) is 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide is Cc1ncc(CC(=O)N2CCC(n3cc(C(N)=O)cn3)C2)s1.
What is the InChIKey of 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is CPQISZGIJWEQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-9-16-6-12(22-9)4-13(20)18-3-2-11(8-18)19-7-10(5-17-19)14(15)21/h5-7,11H,2-4,8H2,1H3,(H2,15,21).
What are the key properties of 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide?
1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126947939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).