N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide

C14H17N3O2 — CID 35532642

IUPACN-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1cccc(NC(=O)CCc2cnn(C)c2)c1
InChIInChI=1S/C14H17N3O2/c1-17-10-11(9-15-17)6-7-14(18)16-12-4-3-5-13(8-12)19-2/h3-5,8-10H,6-7H2,1-2H3,(H,16,18)
InChIKeyRHWBQDKIDAVSGZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.00
Rot. Bonds5

About N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide

N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 35532642) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID35532642
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
SMILESCOc1cccc(NC(=O)CCc2cnn(C)c2)c1
InChIInChI=1S/C14H17N3O2/c1-17-10-11(9-15-17)6-7-14(18)16-12-4-3-5-13(8-12)19-2/h3-5,8-10H,6-7H2,1-2H3,(H,16,18)
InChIKeyRHWBQDKIDAVSGZ-UHFFFAOYSA-N
XLogP2.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
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N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
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(2S)-2-[[(3-methoxyphenyl)carbamoylamino]methyl]-3-(1-methylpyrazol-4-yl)propanamide
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N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071
3-(3-methoxyphenyl)-N-(6-methyl-3-pyridinyl)propanamide
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3-chloro-N-(3-methoxyphenyl)propanamide
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N-(3-methoxyphenyl)-4-phenylbutanamide
CID 683926
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
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3-(3-methoxyphenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide (CID 35532642) is N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide is COc1cccc(NC(=O)CCc2cnn(C)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is RHWBQDKIDAVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-10-11(9-15-17)6-7-14(18)16-12-4-3-5-13(8-12)19-2/h3-5,8-10H,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide?
N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 259.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35532642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).