2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide

C22H26N4O — CID 119759392

IUPAC2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H26N4O/c1-17(14-23-2)22(27)24-15-20-6-3-4-7-21(20)19-10-8-18(9-11-19)16-26-13-5-12-25-26/h3-13,17,23H,14-16H2,1-2H3,(H,24,27)
InChIKeyDNWQIFCELUMSIK-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.07
Rot. Bonds8

About 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide

2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide (PubChem CID 119759392) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide
PubChem CID119759392
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide
SMILESCNCC(C)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H26N4O/c1-17(14-23-2)22(27)24-15-20-6-3-4-7-21(20)19-10-8-18(9-11-19)16-26-13-5-12-25-26/h3-13,17,23H,14-16H2,1-2H3,(H,24,27)
InChIKeyDNWQIFCELUMSIK-UHFFFAOYSA-N
XLogP3.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 56548066
1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
CID 136553019
N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide
CID 86883256
(E)-3-(2-methyl-1,3-thiazol-4-yl)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]prop-2-enamide
CID 56547770
N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 72687351
(2R)-2-amino-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 119275741
2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide
CID 55940350
N-[2-(2-chlorophenyl)ethyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131905264
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 37216571

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide (CID 119759392) is 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide is CNCC(C)C(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide?
The InChIKey is DNWQIFCELUMSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17(14-23-2)22(27)24-15-20-6-3-4-7-21(20)19-10-8-18(9-11-19)16-26-13-5-12-25-26/h3-13,17,23H,14-16H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide?
2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide has a molecular weight of 362.48 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide is sourced from PubChem (CID 119759392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).