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

C15H18N4OS — CID 97073717

IUPAC5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1csc([C@@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)n1
InChIInChI=1S/C15H18N4OS/c1-8-7-21-15(16-8)13(10-4-5-10)17-14(20)12-6-11(18-19-12)9-2-3-9/h6-7,9-10,13H,2-5H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyYDMZFKSOEUDSJK-ZDUSSCGKSA-N
MW302.40 g/mol
LogP2.93
Rot. Bonds5

About 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 97073717) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID97073717
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1csc([C@@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)n1
InChIInChI=1S/C15H18N4OS/c1-8-7-21-15(16-8)13(10-4-5-10)17-14(20)12-6-11(18-19-12)9-2-3-9/h6-7,9-10,13H,2-5H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyYDMZFKSOEUDSJK-ZDUSSCGKSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 97008317
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 126788727
5-[[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119138180
(2S,4S)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 120637532
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
CID 91782379
3-amino-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methylbutanamide
CID 120504188
5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 47161141
(1R,2R,4S)-N-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98351658
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[(R)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97228796
5-cyclopropyl-N-(1-naphthalen-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 46577659

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 97073717) is 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1csc([C@@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YDMZFKSOEUDSJK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-8-7-21-15(16-8)13(10-4-5-10)17-14(20)12-6-11(18-19-12)9-2-3-9/h6-7,9-10,13H,2-5H2,1H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(S)-cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97073717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).