N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H21N7O — CID 167959067

IUPACN-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC1(c2nn[nH]n2)CCCCC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H21N7O/c23-13(12-10-6-2-3-7-11(10)17-18-12)16-15(8-4-1-5-9-15)14-19-21-22-20-14/h1-9H2,(H,16,23)(H,17,18)(H,19,20,21,22)
InChIKeyUUSFLRSWYVYLDF-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.39
Rot. Bonds3

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

N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 167959067) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID167959067
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC1(c2nn[nH]n2)CCCCC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C15H21N7O/c23-13(12-10-6-2-3-7-11(10)17-18-12)16-15(8-4-1-5-9-15)14-19-21-22-20-14/h1-9H2,(H,16,23)(H,17,18)(H,19,20,21,22)
InChIKeyUUSFLRSWYVYLDF-UHFFFAOYSA-N
XLogP1.39
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2H-tetrazol-5-yl)cyclopentyl]-6,7-dihydro-5H-pyrrolizine-2-carboxamide
CID 166303306
1-fluoro-N-[1-(2H-tetrazol-5-yl)cyclobutyl]cyclobutane-1-carboxamide
CID 166312475
N-iodo-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 170232622
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
methyl (3S)-3-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonylamino)thiolane-3-carboxylate
CID 124726932
N-[(3-hydroxythiolan-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71981864
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
N'-(2-chloroacetyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 166414899
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 167959067) is N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NC1(c2nn[nH]n2)CCCCC1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is UUSFLRSWYVYLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c23-13(12-10-6-2-3-7-11(10)17-18-12)16-15(8-4-1-5-9-15)14-19-21-22-20-14/h1-9H2,(H,16,23)(H,17,18)(H,19,20,21,22).
What are the key properties of N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)cyclohexyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 167959067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).