N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide

C17H21N3O3 — CID 111662871

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCC(O)COCC1CC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O3/c21-15(12-23-11-13-6-7-13)10-18-17(22)16-8-9-20(19-16)14-4-2-1-3-5-14/h1-5,8-9,13,15,21H,6-7,10-12H2,(H,18,22)
InChIKeyPEGXGZQFKYEGLW-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.39
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 111662871) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide
PubChem CID111662871
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCC(O)COCC1CC1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O3/c21-15(12-23-11-13-6-7-13)10-18-17(22)16-8-9-20(19-16)14-4-2-1-3-5-14/h1-5,8-9,13,15,21H,6-7,10-12H2,(H,18,22)
InChIKeyPEGXGZQFKYEGLW-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-pyrazol-1-ylbenzamide
CID 111663006
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111697774
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethylindole-2-carboxamide
CID 111662958
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 80712093
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119625337
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 119617682

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide (CID 111662871) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide is O=C(NCC(O)COCC1CC1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is PEGXGZQFKYEGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(12-23-11-13-6-7-13)10-18-17(22)16-8-9-20(19-16)14-4-2-1-3-5-14/h1-5,8-9,13,15,21H,6-7,10-12H2,(H,18,22).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-phenylpyrazole-3-carboxamide 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]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 111662871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).