N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H18N4OS — CID 71852587

IUPACN-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1csc(N(C(=O)c2n[nH]c3c2CCCC3)C2CC2)n1
InChIInChI=1S/C15H18N4OS/c1-9-8-21-15(16-9)19(10-6-7-10)14(20)13-11-4-2-3-5-12(11)17-18-13/h8,10H,2-7H2,1H3,(H,17,18)
InChIKeyXDAHSIOXMWVPMI-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.86
Rot. Bonds3

About N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 71852587) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID71852587
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1csc(N(C(=O)c2n[nH]c3c2CCCC3)C2CC2)n1
InChIInChI=1S/C15H18N4OS/c1-9-8-21-15(16-9)19(10-6-7-10)14(20)13-11-4-2-3-5-12(11)17-18-13/h8,10H,2-7H2,1H3,(H,17,18)
InChIKeyXDAHSIOXMWVPMI-UHFFFAOYSA-N
XLogP2.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 71852587) is N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1csc(N(C(=O)c2n[nH]c3c2CCCC3)C2CC2)n1.
What is the InChIKey of N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is XDAHSIOXMWVPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-9-8-21-15(16-9)19(10-6-7-10)14(20)13-11-4-2-3-5-12(11)17-18-13/h8,10H,2-7H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 71852587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).