N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide

C17H21N3O3 — CID 111663006

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NCC(O)COCC1CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C17H21N3O3/c21-14(12-23-11-13-6-7-13)10-18-17(22)15-4-1-2-5-16(15)20-9-3-8-19-20/h1-5,8-9,13-14,21H,6-7,10-12H2,(H,18,22)
InChIKeyMBDSJSDIKZUEPZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.39
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide (PubChem CID 111663006) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
PubChem CID111663006
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide
SMILESO=C(NCC(O)COCC1CC1)c1ccccc1-n1cccn1
InChIInChI=1S/C17H21N3O3/c21-14(12-23-11-13-6-7-13)10-18-17(22)15-4-1-2-5-16(15)20-9-3-8-19-20/h1-5,8-9,13-14,21H,6-7,10-12H2,(H,18,22)
InChIKeyMBDSJSDIKZUEPZ-UHFFFAOYSA-N
XLogP1.39
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide
CID 111662871
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111697774
2-(cyclopentylamino)-N-[(2R)-3-(cyclopropylmethoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 97319425
1-cyclopropyl-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 110007618
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
CID 111662958
N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-pyrazol-1-ylbenzamide
CID 99320484
N-[(2R)-2-anilinopropyl]-2-pyrazol-1-ylbenzamide
CID 95787834
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-pyrazol-1-ylbenzamide
CID 86824371
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
N-[(2S)-3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(difluoromethoxy)-3-methoxybenzamide
CID 97000794
3,5-dichloro-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]benzamide
CID 111662976

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide (CID 111663006) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide is O=C(NCC(O)COCC1CC1)c1ccccc1-n1cccn1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide?
The InChIKey is MBDSJSDIKZUEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-14(12-23-11-13-6-7-13)10-18-17(22)15-4-1-2-5-16(15)20-9-3-8-19-20/h1-5,8-9,13-14,21H,6-7,10-12H2,(H,18,22).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111663006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).