N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide

C13H16N4O2 — CID 120947793

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
SMILESO=C(NCC1CNCC1O)c1cccc2[nH]ncc12
InChIInChI=1S/C13H16N4O2/c18-12-7-14-4-8(12)5-15-13(19)9-2-1-3-11-10(9)6-16-17-11/h1-3,6,8,12,14,18H,4-5,7H2,(H,15,19)(H,16,17)
InChIKeyYVXSGFFKIPIPEK-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.13
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide (PubChem CID 120947793) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
PubChem CID120947793
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
SMILESO=C(NCC1CNCC1O)c1cccc2[nH]ncc12
InChIInChI=1S/C13H16N4O2/c18-12-7-14-4-8(12)5-15-13(19)9-2-1-3-11-10(9)6-16-17-11/h1-3,6,8,12,14,18H,4-5,7H2,(H,15,19)(H,16,17)
InChIKeyYVXSGFFKIPIPEK-UHFFFAOYSA-N
XLogP-0.13
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-1H-indazole-4-carboxamide
CID 47330976
N-(3-hydroxypropyl)-1H-indazole-4-carboxamide
CID 110468684
N-(3-formamidopropyl)-1H-indazole-4-carboxamide
CID 110468696
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide
CID 110468689
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodo-1H-indazole-3-carboxamide
CID 120945759
N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indazole-4-carboxamide
CID 129331119
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
CID 120945040
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride
CID 120945039
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide (CID 120947793) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide is O=C(NCC1CNCC1O)c1cccc2[nH]ncc12.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide?
The InChIKey is YVXSGFFKIPIPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12-7-14-4-8(12)5-15-13(19)9-2-1-3-11-10(9)6-16-17-11/h1-3,6,8,12,14,18H,4-5,7H2,(H,15,19)(H,16,17).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of -0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide is sourced from PubChem (CID 120947793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).