N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H22N6O — CID 71985194

IUPACN-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H22N6O/c1-10(2)14-20-17-9-21(14)8-7-16-15(22)13-11-5-3-4-6-12(11)18-19-13/h9-10H,3-8H2,1-2H3,(H,16,22)(H,18,19)
InChIKeyQBQFCLYEJDBBPH-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.43
Rot. Bonds5

About N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 71985194) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID71985194
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCC(C)c1nncn1CCNC(=O)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H22N6O/c1-10(2)14-20-17-9-21(14)8-7-16-15(22)13-11-5-3-4-6-12(11)18-19-13/h9-10H,3-8H2,1-2H3,(H,16,22)(H,18,19)
InChIKeyQBQFCLYEJDBBPH-UHFFFAOYSA-N
XLogP1.43
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-yloxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110610403
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 146089000
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-(2-morpholin-4-ylethyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 75489591
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
(2S)-2-amino-3,3-dimethyl-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]butanamide
CID 119891087
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
2-amino-N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]pentanamide
CID 119891069
N-[2-(4-methoxyphenoxy)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415041
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 71985194) is N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CC(C)c1nncn1CCNC(=O)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is QBQFCLYEJDBBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-10(2)14-20-17-9-21(14)8-7-16-15(22)13-11-5-3-4-6-12(11)18-19-13/h9-10H,3-8H2,1-2H3,(H,16,22)(H,18,19).
What are the key properties of N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-propan-2-yl-1,2,4-triazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 71985194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).