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

C14H18N4O2 — CID 120945040

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
SMILESCc1cc(C(=O)NCC2CNCC2O)c2[nH]ncc2c1
InChIInChI=1S/C14H18N4O2/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)
InChIKeyFRCVUSRPPYGGRI-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.18
Rot. Bonds3

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide (PubChem CID 120945040) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
PubChem CID120945040
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide
SMILESCc1cc(C(=O)NCC2CNCC2O)c2[nH]ncc2c1
InChIInChI=1S/C14H18N4O2/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)
InChIKeyFRCVUSRPPYGGRI-UHFFFAOYSA-N
XLogP0.18
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.18
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;hydrochloride
CID 120945039
2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylbenzamide
CID 120944490
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-iodo-5-methylbenzamide;hydrochloride
CID 120948282
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]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120946320
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide
CID 167971765
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?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide (CID 120945040) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide is Cc1cc(C(=O)NCC2CNCC2O)c2[nH]ncc2c1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide?
The InChIKey is FRCVUSRPPYGGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/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).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1H-indazole-7-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.18, 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 is sourced from PubChem (CID 120945040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).