5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide

C16H16N4OS — CID 87047322

IUPAC5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(-c3nccs3)c2)n[nH]1
InChIInChI=1S/C16H16N4OS/c1-10(2)13-9-14(20-19-13)15(21)18-12-5-3-4-11(8-12)16-17-6-7-22-16/h3-10H,1-2H3,(H,18,21)(H,19,20)
InChIKeyKDEQKKRTCSGDRB-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.91
Rot. Bonds4

About 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide

5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 87047322) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
PubChem CID87047322
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccc(-c3nccs3)c2)n[nH]1
InChIInChI=1S/C16H16N4OS/c1-10(2)13-9-14(20-19-13)15(21)18-12-5-3-4-11(8-12)16-17-6-7-22-16/h3-10H,1-2H3,(H,18,21)(H,19,20)
InChIKeyKDEQKKRTCSGDRB-UHFFFAOYSA-N
XLogP3.91
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244989
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CID 107904091
2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 54862805
(2S)-2-amino-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 61180169
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 61040465
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685528
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
CID 110863444
3-(ethylamino)-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 62838310

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide (CID 87047322) is 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cccc(-c3nccs3)c2)n[nH]1.
What is the InChIKey of 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is KDEQKKRTCSGDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-10(2)13-9-14(20-19-13)15(21)18-12-5-3-4-11(8-12)16-17-6-7-22-16/h3-10H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide?
5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[3-(1,3-thiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 87047322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).