N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine

C16H21N3 — CID 79338967

IUPACN,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine
SMILESCNCC(=Cc1ccc(-n2cccn2)cc1)C(C)C
InChIInChI=1S/C16H21N3/c1-13(2)15(12-17-3)11-14-5-7-16(8-6-14)19-10-4-9-18-19/h4-11,13,17H,12H2,1-3H3
InChIKeyLHQPWXICYFMCFD-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.13
Rot. Bonds5

About N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine

N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine (PubChem CID 79338967) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine
PubChem CID79338967
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine
SMILESCNCC(=Cc1ccc(-n2cccn2)cc1)C(C)C
InChIInChI=1S/C16H21N3/c1-13(2)15(12-17-3)11-14-5-7-16(8-6-14)19-10-4-9-18-19/h4-11,13,17H,12H2,1-3H3
InChIKeyLHQPWXICYFMCFD-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(4-pyrazol-1-ylphenyl)prop-2-en-1-amine
CID 79340172
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
1-(4-ethenylphenyl)pyrazole
CID 59449537
2-methyl-3-(4-pyrazol-1-ylanilino)butan-2-ol
CID 65337972
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
CID 119725281
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
3-(4-pyrazol-1-ylphenyl)prop-2-ene-1-thiol
CID 169455886
1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole
CID 79322595
N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
CID 43688218
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
1-(4-propan-2-yloxyphenyl)pyrazole
CID 171743656

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine (CID 79338967) is N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine is CNCC(=Cc1ccc(-n2cccn2)cc1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine?
The InChIKey is LHQPWXICYFMCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(2)15(12-17-3)11-14-5-7-16(8-6-14)19-10-4-9-18-19/h4-11,13,17H,12H2,1-3H3.
What are the key properties of N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine?
N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(4-pyrazol-1-ylphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79338967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).