N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C17H27N3O2 — CID 136533598

IUPACN-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCN(CC1(O)CCCCCC1)C(=O)C1CCCc2[nH]ncc21
InChIInChI=1S/C17H27N3O2/c1-20(12-17(22)9-4-2-3-5-10-17)16(21)13-7-6-8-15-14(13)11-18-19-15/h11,13,22H,2-10,12H2,1H3,(H,18,19)
InChIKeyJAIPPGJNEKLOKF-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.37
Rot. Bonds3

About N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 136533598) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID136533598
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCN(CC1(O)CCCCCC1)C(=O)C1CCCc2[nH]ncc21
InChIInChI=1S/C17H27N3O2/c1-20(12-17(22)9-4-2-3-5-10-17)16(21)13-7-6-8-15-14(13)11-18-19-15/h11,13,22H,2-10,12H2,1H3,(H,18,19)
InChIKeyJAIPPGJNEKLOKF-UHFFFAOYSA-N
XLogP2.37
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 114951112
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 131963475
(4S)-N-[(R)-cyclopropyl-(4-fluorophenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 96997674
(4S)-N-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 97224000
N-hydroxy-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 130625748
(2R)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103840269
N,N-diethyl-4-[(4S)-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl]piperazine-1-carboxamide
CID 97223994
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129477024
N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948903
piperazin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone;hydrochloride
CID 119402457
(4S)-N-[[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 124840840

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 136533598) is N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is CN(CC1(O)CCCCCC1)C(=O)C1CCCc2[nH]ncc21.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is JAIPPGJNEKLOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-20(12-17(22)9-4-2-3-5-10-17)16(21)13-7-6-8-15-14(13)11-18-19-15/h11,13,22H,2-10,12H2,1H3,(H,18,19).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 136533598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).