5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide

C12H12BrN3O2 — CID 166150369

IUPAC5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H12BrN3O2/c13-7-1-2-9-8(5-7)10(16-15-9)11(18)14-12(6-17)3-4-12/h1-2,5,17H,3-4,6H2,(H,14,18)(H,15,16)
InChIKeyQDNPRUZAMPGWKC-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.58
Rot. Bonds3

About 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide

5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide (PubChem CID 166150369) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide
PubChem CID166150369
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H12BrN3O2/c13-7-1-2-9-8(5-7)10(16-15-9)11(18)14-12(6-17)3-4-12/h1-2,5,17H,3-4,6H2,(H,14,18)(H,15,16)
InChIKeyQDNPRUZAMPGWKC-UHFFFAOYSA-N
XLogP1.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1H-indazole-3-carboxylate
CID 7157357
N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
CID 120504693
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
CID 120831007
6-bromo-N-[1-(hydroxymethyl)cyclopropyl]naphthalene-2-carboxamide
CID 113344700
2-[4-[(5-nitro-1H-indazole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215107
5-bromo-2-chloro-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764614
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115883921
5-bromo-N-(2-methylpiperidin-4-yl)-1H-indazole-3-carboxamide;hydrochloride
CID 120597988
6-bromo-1H-indazole-3-carbohydrazide
CID 130118976
5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
CID 119427244
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-bromo-1H-indazole-3-carboxamide
CID 66636210
2,4-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 113356722

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide (CID 166150369) is 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide is O=C(NC1(CO)CC1)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide?
The InChIKey is QDNPRUZAMPGWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-7-1-2-9-8(5-7)10(16-15-9)11(18)14-12(6-17)3-4-12/h1-2,5,17H,3-4,6H2,(H,14,18)(H,15,16).
What are the key properties of 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide?
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166150369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).