1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide

C20H27N3O2 — CID 131939420

IUPAC1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(COc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C20H27N3O2/c1-15(2)11-16-12-18(23(3)22-16)19(24)21-13-20(9-10-20)14-25-17-7-5-4-6-8-17/h4-8,12,15H,9-11,13-14H2,1-3H3,(H,21,24)
InChIKeyAQOOGIYGCSYUIU-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.21
Rot. Bonds8

About 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide

1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide (PubChem CID 131939420) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide
PubChem CID131939420
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2(COc3ccccc3)CC2)n(C)n1
InChIInChI=1S/C20H27N3O2/c1-15(2)11-16-12-18(23(3)22-16)19(24)21-13-20(9-10-20)14-25-17-7-5-4-6-8-17/h4-8,12,15H,9-11,13-14H2,1-3H3,(H,21,24)
InChIKeyAQOOGIYGCSYUIU-UHFFFAOYSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122572722
N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 162796893
(2R)-2-methoxy-N-[[1-(phenoxymethyl)cyclopropyl]methyl]propanamide
CID 126423849
3-ethyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-5-carboxamide
CID 113313377
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70758757
1-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazo[2,1-e]pyrazole-7-carboxamide
CID 122567110
2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
CID 131942164
1-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-[[1-(phenoxymethyl)cyclopropyl]methyl]urea
CID 118787300
3-ethyl-N-[(1-hydroxycyclopentyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66121924
2-[(3S)-3-[(4-fluorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]acetamide
CID 125006574
2-[4-[(3-chlorophenoxy)methyl]-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-4-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110079731
1-[[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433032

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide (CID 131939420) is 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCC2(COc3ccccc3)CC2)n(C)n1.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide?
The InChIKey is AQOOGIYGCSYUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)11-16-12-18(23(3)22-16)19(24)21-13-20(9-10-20)14-25-17-7-5-4-6-8-17/h4-8,12,15H,9-11,13-14H2,1-3H3,(H,21,24).
What are the key properties of 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide?
1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 131939420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).