N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide

C19H27N3O2 — CID 138995383

IUPACN-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(C(=O)c1cc(C(C)C)[nH]n1)C(C)c1ccccc1OC
InChIInChI=1S/C19H27N3O2/c1-6-11-22(14(4)15-9-7-8-10-18(15)24-5)19(23)17-12-16(13(2)3)20-21-17/h7-10,12-14H,6,11H2,1-5H3,(H,20,21)
InChIKeyNNLLLQCHOZJYBV-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.16
Rot. Bonds7

About N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide (PubChem CID 138995383) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
PubChem CID138995383
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(C(=O)c1cc(C(C)C)[nH]n1)C(C)c1ccccc1OC
InChIInChI=1S/C19H27N3O2/c1-6-11-22(14(4)15-9-7-8-10-18(15)24-5)19(23)17-12-16(13(2)3)20-21-17/h7-10,12-14H,6,11H2,1-5H3,(H,20,21)
InChIKeyNNLLLQCHOZJYBV-UHFFFAOYSA-N
XLogP4.16
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 47024435
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 110907482
N-piperidin-4-yl-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 119823212
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508401
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508847
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
CID 94486607
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 60958671
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea
CID 51954766
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 78861160
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899
(3S)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methyl-4-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperazin-2-one
CID 124939565

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide (CID 138995383) is N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide is CCCN(C(=O)c1cc(C(C)C)[nH]n1)C(C)c1ccccc1OC.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is NNLLLQCHOZJYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-11-22(14(4)15-9-7-8-10-18(15)24-5)19(23)17-12-16(13(2)3)20-21-17/h7-10,12-14H,6,11H2,1-5H3,(H,20,21).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 138995383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).