3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

C15H15N5OS — CID 167977469

IUPAC3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c(C2CC2)n1
InChIInChI=1S/C15H15N5OS/c1-20-7-10(13(19-20)9-4-5-9)14(21)18-15-17-12(8-22-15)11-3-2-6-16-11/h2-3,6-9,16H,4-5H2,1H3,(H,17,18,21)
InChIKeyJUBDZGLMFHFIQN-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.00
Rot. Bonds4

About 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 167977469) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
PubChem CID167977469
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c(C2CC2)n1
InChIInChI=1S/C15H15N5OS/c1-20-7-10(13(19-20)9-4-5-9)14(21)18-15-17-12(8-22-15)11-3-2-6-16-11/h2-3,6-9,16H,4-5H2,1H3,(H,17,18,21)
InChIKeyJUBDZGLMFHFIQN-UHFFFAOYSA-N
XLogP3.00
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 32868667
N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 24687215
1,1-dioxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thiolane-3-carboxamide
CID 47011446
3,5-dimethyl-4-oxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 36537520
1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
CID 51101287
2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
CID 51094859
6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 36537742
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 31349965
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
3-(2-oxopyrrolidin-1-yl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 36537470
4-amino-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 65353990
4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol
CID 116966606

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide (CID 167977469) is 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c(C2CC2)n1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is JUBDZGLMFHFIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-20-7-10(13(19-20)9-4-5-9)14(21)18-15-17-12(8-22-15)11-3-2-6-16-11/h2-3,6-9,16H,4-5H2,1H3,(H,17,18,21).
What are the key properties of 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide?
3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 167977469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).