N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide

C18H25N3O2 — CID 124743745

IUPACN-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide
SMILESO=C(NCC(CO)CC1CCCCC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H25N3O2/c22-12-14(8-13-4-2-1-3-5-13)10-19-18(23)15-6-7-17-16(9-15)11-20-21-17/h6-7,9,11,13-14,22H,1-5,8,10,12H2,(H,19,23)(H,20,21)
InChIKeyZEHVSTOCUJSBCN-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.87
Rot. Bonds6

About N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide

N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide (PubChem CID 124743745) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide
PubChem CID124743745
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide
SMILESO=C(NCC(CO)CC1CCCCC1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C18H25N3O2/c22-12-14(8-13-4-2-1-3-5-13)10-19-18(23)15-6-7-17-16(9-15)11-20-21-17/h6-7,9,11,13-14,22H,1-5,8,10,12H2,(H,19,23)(H,20,21)
InChIKeyZEHVSTOCUJSBCN-UHFFFAOYSA-N
XLogP2.87
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 124844251
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
CID 124844495
N-(2-piperidin-4-ylethyl)-1H-indazole-5-carboxamide
CID 22934092
1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
CID 124847238
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
N-[[2-(1H-indazole-5-carbonylamino)cyclopentyl]methyl]-1H-indazole-5-carboxamide
CID 154862895
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide (CID 124743745) is N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide is O=C(NCC(CO)CC1CCCCC1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide?
The InChIKey is ZEHVSTOCUJSBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-12-14(8-13-4-2-1-3-5-13)10-19-18(23)15-6-7-17-16(9-15)11-20-21-17/h6-7,9,11,13-14,22H,1-5,8,10,12H2,(H,19,23)(H,20,21).
What are the key properties of N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide?
N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 124743745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).