N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide

C12H15N3O2 — CID 156523324

IUPACN-(1-hydroxypropyl)-1-methylindazole-5-carboxamide
SMILESCCC(O)NC(=O)c1ccc2c(cnn2C)c1
InChIInChI=1S/C12H15N3O2/c1-3-11(16)14-12(17)8-4-5-10-9(6-8)7-13-15(10)2/h4-7,11,16H,3H2,1-2H3,(H,14,17)
InChIKeyJDULDNXKNUSCKK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.03
Rot. Bonds3

About N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide

N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide (PubChem CID 156523324) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropyl)-1-methylindazole-5-carboxamide
PubChem CID156523324
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(1-hydroxypropyl)-1-methylindazole-5-carboxamide
SMILESCCC(O)NC(=O)c1ccc2c(cnn2C)c1
InChIInChI=1S/C12H15N3O2/c1-3-11(16)14-12(17)8-4-5-10-9(6-8)7-13-15(10)2/h4-7,11,16H,3H2,1-2H3,(H,14,17)
InChIKeyJDULDNXKNUSCKK-UHFFFAOYSA-N
XLogP1.03
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide
CID 110475586
N-hexan-3-yl-N-methyl-4-(1-methylindazol-5-yl)benzamide
CID 144760261
2-(1-methylindazol-5-yl)oxyacetic acid
CID 84673968
N-[(2S)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-1-methylindazole-6-carboxamide
CID 131971049
1-methyl-N-[5-methyl-6-(4-methylpiperazin-1-yl)-2-pyridinyl]indazole-5-carboxamide
CID 171491963
4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
CID 126643932
2-(1-methylindazol-5-yl)prop-2-enenitrile
CID 142664666
1-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]indazole-5-carboxamide
CID 138590174
N-[1-(1-methylindazol-5-yl)ethyl]prop-2-enamide
CID 166428635
N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 110475629
5-(difluoromethoxy)-1-methylindazole
CID 141364933

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide?
The IUPAC name of N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide (CID 156523324) is N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide is CCC(O)NC(=O)c1ccc2c(cnn2C)c1.
What is the InChIKey of N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide?
The InChIKey is JDULDNXKNUSCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-11(16)14-12(17)8-4-5-10-9(6-8)7-13-15(10)2/h4-7,11,16H,3H2,1-2H3,(H,14,17).
What are the key properties of N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide?
N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropyl)-1-methylindazole-5-carboxamide is sourced from PubChem (CID 156523324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).