N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide

C20H23N5O — CID 119059144

IUPACN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C20H23N5O/c1-14-18(15(2)24-23-14)6-4-13-25(3)20(26)17-9-7-16(8-10-17)19-21-11-5-12-22-19/h5,7-12H,4,6,13H2,1-3H3,(H,23,24)
InChIKeyAPNGKKYKFCADIT-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.19
Rot. Bonds6

About N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide (PubChem CID 119059144) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
PubChem CID119059144
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide
SMILESCc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc(-c2ncccn2)cc1
InChIInChI=1S/C20H23N5O/c1-14-18(15(2)24-23-14)6-4-13-25(3)20(26)17-9-7-16(8-10-17)19-21-11-5-12-22-19/h5,7-12H,4,6,13H2,1-3H3,(H,23,24)
InChIKeyAPNGKKYKFCADIT-UHFFFAOYSA-N
XLogP3.19
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-3-(2-oxo-1H-pyridin-3-yl)benzamide
CID 118761715
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-3-[4-(methylamino)phenyl]benzamide
CID 118777151
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,1-dimethylindole-3-carboxamide
CID 91797561
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-pyridin-2-ylacetamide
CID 77085816
3-amino-4-chloro-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 90647926
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72936927
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 70732734
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylquinoline-2-carboxamide
CID 77093849
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-1-benzofuran-2-carboxamide
CID 29096537
5-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethylbenzamide
CID 77079296
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 77083511
1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 72904070

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide?
The IUPAC name of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide (CID 119059144) is N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide is Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccc(-c2ncccn2)cc1.
What is the InChIKey of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide?
The InChIKey is APNGKKYKFCADIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-18(15(2)24-23-14)6-4-13-25(3)20(26)17-9-7-16(8-10-17)19-21-11-5-12-22-19/h5,7-12H,4,6,13H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide?
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide has a molecular weight of 349.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N-methyl-4-pyrimidin-2-ylbenzamide is sourced from PubChem (CID 119059144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).