N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide

C20H22N4O — CID 122274120

IUPACN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1cncc(-c2ccnn2C)c1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)10-20(25)22-13-16-11-18(14-21-12-16)19-8-9-23-24(19)2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,22,25)
InChIKeyLFOAVRFVBPLYHL-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.29
Rot. Bonds6

About N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide

N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide (PubChem CID 122274120) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
PubChem CID122274120
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCc1cncc(-c2ccnn2C)c1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)10-20(25)22-13-16-11-18(14-21-12-16)19-8-9-23-24(19)2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,22,25)
InChIKeyLFOAVRFVBPLYHL-UHFFFAOYSA-N
XLogP3.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindol-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]acetamide
CID 122273990
3-(benzenesulfonyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273925
1-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121022416
3-(2-methylphenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 119105165
2-ethylsulfanyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]benzamide
CID 122273907
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122274062
1-tert-butyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274156
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
3-(3,4-dichlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122273952
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 122273897
pyridin-4-ylmethyl N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]carbamate
CID 122274118
(E)-3-(2-chlorophenyl)-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]prop-2-enamide
CID 122273999

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide (CID 122274120) is N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide is CC(CC(=O)NCc1cncc(-c2ccnn2C)c1)c1ccccc1.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
The InChIKey is LFOAVRFVBPLYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(17-6-4-3-5-7-17)10-20(25)22-13-16-11-18(14-21-12-16)19-8-9-23-24(19)2/h3-9,11-12,14-15H,10,13H2,1-2H3,(H,22,25).
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide?
N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide has a molecular weight of 334.42 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 122274120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).