N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline

C14H19N3 — CID 43644839

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C14H19N3/c1-9-5-6-13(7-10(9)2)15-8-14-11(3)16-17-12(14)4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyMWQLYJIGQKKKAD-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.26
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline (PubChem CID 43644839) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
PubChem CID43644839
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C14H19N3/c1-9-5-6-13(7-10(9)2)15-8-14-11(3)16-17-12(14)4/h5-7,15H,8H2,1-4H3,(H,16,17)
InChIKeyMWQLYJIGQKKKAD-UHFFFAOYSA-N
XLogP3.26
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 43644801
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 43644780
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-fluoro-5-methylaniline
CID 79054856
4-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-nitroaniline
CID 43719531
3-chloro-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-nitroaniline
CID 82864525
5-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]phenyl]-1,2-dihydropyrazol-3-one
CID 43709019
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-ethoxyaniline
CID 54865539
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
CID 43709887
3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 126820493
methyl 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoate
CID 43645040
4-(difluoromethoxy)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]aniline
CID 43644895

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline (CID 43644839) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline is Cc1ccc(NCc2c(C)n[nH]c2C)cc1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline?
The InChIKey is MWQLYJIGQKKKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-9-5-6-13(7-10(9)2)15-8-14-11(3)16-17-12(14)4/h5-7,15H,8H2,1-4H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline has a molecular weight of 229.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 43644839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).