N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

C13H18N4OS — CID 97115981

IUPACN-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)[C@@H](C)c2cncs2)n[nH]1
InChIInChI=1S/C13H18N4OS/c1-4-5-10-6-11(16-15-10)13(18)17(3)9(2)12-7-14-8-19-12/h6-9H,4-5H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyLTEKAIGKFAOGGU-VIFPVBQESA-N
MW278.38 g/mol
LogP2.65
Rot. Bonds5

About N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide

N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 97115981) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID97115981
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)[C@@H](C)c2cncs2)n[nH]1
InChIInChI=1S/C13H18N4OS/c1-4-5-10-6-11(16-15-10)13(18)17(3)9(2)12-7-14-8-19-12/h6-9H,4-5H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyLTEKAIGKFAOGGU-VIFPVBQESA-N
XLogP2.65
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-(1,3-thiazol-2-yl)piperidine
CID 45176959
2-[1-({5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-yl}carbonyl)-2-pyrrolidinyl]-1,3-thiazole
CID 45188891
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 45809031
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 48428117
2-(1-{[3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-5-yl]carbonyl}-2-pyrrolidinyl)-1,3-thiazole
CID 70708075
N-(2-(thiazol-2-yl)ethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 71705685
5-cyclopropyl-N-[1-(1,3-thiazol-2-yl)cyclopentyl]-1H-pyrazole-3-carboxamide
CID 71875704
N-(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 71916584
5-[1-[3-(1,3-thiazol-4-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926909
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72135950
(5-methyl-1H-pyrazol-3-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 72145418
[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72145425

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 97115981) is N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(C)[C@@H](C)c2cncs2)n[nH]1.
What is the InChIKey of N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is LTEKAIGKFAOGGU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-5-10-6-11(16-15-10)13(18)17(3)9(2)12-7-14-8-19-12/h6-9H,4-5H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide?
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97115981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).