N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H20N4OS — CID 77093306

IUPACN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nc(CCCNC(=O)c2n[nH]c3c2CCC3)sc1C
InChIInChI=1S/C15H20N4OS/c1-9-10(2)21-13(17-9)7-4-8-16-15(20)14-11-5-3-6-12(11)18-19-14/h3-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyAGBQXVRJXQDPTM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.33
Rot. Bonds5

About N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 77093306) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID77093306
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1nc(CCCNC(=O)c2n[nH]c3c2CCC3)sc1C
InChIInChI=1S/C15H20N4OS/c1-9-10(2)21-13(17-9)7-4-8-16-15(20)14-11-5-3-6-12(11)18-19-14/h3-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyAGBQXVRJXQDPTM-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-3-isopropyl-1-methyl-1H-pyrazole-5-carboxamide
CID 50975850
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 70729813
N-(2-(thiazol-2-yl)ethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 71705685
5-cyclopropyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
CID 47290731
N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)propanamide
CID 70768411
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 77086153
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91843321
5-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 125525000
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
CID 129613960
2,4-dimethyl-N-[[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164636362
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 128991429
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 128993993

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 77093306) is N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1nc(CCCNC(=O)c2n[nH]c3c2CCC3)sc1C.
What is the InChIKey of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is AGBQXVRJXQDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9-10(2)21-13(17-9)7-4-8-16-15(20)14-11-5-3-6-12(11)18-19-14/h3-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 77093306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).