N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

C15H16N4OS — CID 147962150

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)Nc3c(C)n[nH]c3C)=C2)cs1
InChIInChI=1S/C15H16N4OS/c1-8-14(9(2)19-18-8)17-15(20)12-5-4-11(6-12)13-7-21-10(3)16-13/h4,6-7H,5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIPRRSPFMEBYUFM-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.14
Rot. Bonds3

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 147962150) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID147962150
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)Nc3c(C)n[nH]c3C)=C2)cs1
InChIInChI=1S/C15H16N4OS/c1-8-14(9(2)19-18-8)17-15(20)12-5-4-11(6-12)13-7-21-10(3)16-13/h4,6-7H,5H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyIPRRSPFMEBYUFM-UHFFFAOYSA-N
XLogP3.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 146131541
3-(2-methyl-1,3-thiazol-4-yl)-N-(1H-pyrazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
CID 160878382
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43546450
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43546554
(E)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 43546560
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43546767
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 61851978
2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66376841
2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66388848
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide
CID 75399503
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylsulfanyl]acetamide
CID 75399507
2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120617285

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (CID 147962150) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is Cc1nc(C2=CCC(C(=O)Nc3c(C)n[nH]c3C)=C2)cs1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is IPRRSPFMEBYUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-8-14(9(2)19-18-8)17-15(20)12-5-4-11(6-12)13-7-21-10(3)16-13/h4,6-7H,5H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 147962150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).