1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide

C19H27N3O2 — CID 87027958

IUPAC1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C19H27N3O2/c1-6-22-17(11-16(21-22)14(4)5)19(23)20-15-9-7-8-10-18(15)24-12-13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,20,23)
InChIKeyCQKRJEUQNKDSJK-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.31
Rot. Bonds7

About 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 87027958) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID87027958
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C19H27N3O2/c1-6-22-17(11-16(21-22)14(4)5)19(23)20-15-9-7-8-10-18(15)24-12-13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,20,23)
InChIKeyCQKRJEUQNKDSJK-UHFFFAOYSA-N
XLogP4.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
N-[2-(2-methylpropoxy)phenyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide
CID 55991448
4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
CID 62952857
N-[2-(2-methylpropoxy)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934176
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
CID 55125784
(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 87027958) is 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)Nc1ccccc1OCC(C)C.
What is the InChIKey of 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is CQKRJEUQNKDSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-22-17(11-16(21-22)14(4)5)19(23)20-15-9-7-8-10-18(15)24-12-13(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,20,23).
What are the key properties of 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(2-methylpropoxy)phenyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 87027958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).