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

C15H18N4OS — CID 97008317

IUPAC5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cnc([C@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)s1
InChIInChI=1S/C15H18N4OS/c1-8-7-16-15(21-8)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-/m1/s1
InChIKeyRRMGYDLKAMLQBB-CYBMUJFWSA-N
MW302.40 g/mol
LogP2.93
Rot. Bonds5

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

5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 97008317) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID97008317
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cnc([C@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)s1
InChIInChI=1S/C15H18N4OS/c1-8-7-16-15(21-8)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-/m1/s1
InChIKeyRRMGYDLKAMLQBB-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 97008317) is 5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is Cc1cnc([C@H](NC(=O)c2cc(C3CC3)[nH]n2)C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RRMGYDLKAMLQBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-8-7-16-15(21-8)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-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(R)-cyclopropyl-(5-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-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97008317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).