N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide

C13H15N3O2 — CID 47330976

IUPACN-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc2[nH]ncc12
InChIInChI=1S/C13H15N3O2/c17-13(14-7-9-3-2-6-18-9)10-4-1-5-12-11(10)8-15-16-12/h1,4-5,8-9H,2-3,6-7H2,(H,14,17)(H,15,16)
InChIKeyMDGZRVCNSVMXPN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.47
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide

N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide (PubChem CID 47330976) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
PubChem CID47330976
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cccc2[nH]ncc12
InChIInChI=1S/C13H15N3O2/c17-13(14-7-9-3-2-6-18-9)10-4-1-5-12-11(10)8-15-16-12/h1,4-5,8-9H,2-3,6-7H2,(H,14,17)(H,15,16)
InChIKeyMDGZRVCNSVMXPN-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
CID 95625533
N-(oxolan-2-ylmethyl)-1H-indazole-3-carboxamide
CID 4877074
N-(oxolan-2-ylmethyl)-1H-benzimidazole-4-carboxamide
CID 110700823
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
3-(oxolan-2-ylmethylcarbamoyl)-1H-indole-4-carboxylic acid
CID 167919642
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide (CID 47330976) is N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide is O=C(NCC1CCCO1)c1cccc2[nH]ncc12.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide?
The InChIKey is MDGZRVCNSVMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(14-7-9-3-2-6-18-9)10-4-1-5-12-11(10)8-15-16-12/h1,4-5,8-9H,2-3,6-7H2,(H,14,17)(H,15,16).
What are the key properties of N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide?
N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide is sourced from PubChem (CID 47330976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).