N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride

C14H19ClN4O2 — CID 120945039

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2CNCC2O)c2[nH]ncc2c1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-8-2-9-6-17-18-13(9)11(3-8)14(20)16-5-10-4-15-7-12(10)19;/h2-3,6,10,12,15,19H,4-5,7H2,1H3,(H,16,20)(H,17,18);1H
InChIKeyHKGFGFGPEONNLR-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.60
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride (PubChem CID 120945039) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride
PubChem CID120945039
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NCC2CNCC2O)c2[nH]ncc2c1.Cl
InChIInChI=1S/C14H18N4O2.ClH/c1-8-2-9-6-17-18-13(9)11(3-8)14(20)16-5-10-4-15-7-12(10)19;/h2-3,6,10,12,15,19H,4-5,7H2,1H3,(H,16,20)(H,17,18);1H
InChIKeyHKGFGFGPEONNLR-UHFFFAOYSA-N
XLogP0.60
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
CID 120945040
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
7-[(5-methyl-1H-indazole-7-carbonyl)amino]heptanoic acid
CID 119227464
cis-(1R,3S)-3-[(5-methyl-1H-indazole-7-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678335
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120946320
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
(2R)-3-methyl-2-[(5-methyl-1H-indazole-7-carbonyl)amino]butanoic acid
CID 119369476
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120946334

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride (CID 120945039) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride is Cc1cc(C(=O)NCC2CNCC2O)c2[nH]ncc2c1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride?
The InChIKey is HKGFGFGPEONNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2.ClH/c1-8-2-9-6-17-18-13(9)11(3-8)14(20)16-5-10-4-15-7-12(10)19;/h2-3,6,10,12,15,19H,4-5,7H2,1H3,(H,16,20)(H,17,18);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.60, 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]-5-methyl-1H-indazole-7-carboxamide;hydrochloride is sourced from PubChem (CID 120945039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).