2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline

C16H24N4 — CID 114555445

IUPAC2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccccc1CN(C)C
InChIInChI=1S/C16H24N4/c1-4-11-20-15(9-10-18-20)12-17-16-8-6-5-7-14(16)13-19(2)3/h5-10,17H,4,11-13H2,1-3H3
InChIKeyGFMMLIFIFCBVPX-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.97
Rot. Bonds7

About 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline

2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline (PubChem CID 114555445) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline
PubChem CID114555445
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline
SMILESCCCn1nccc1CNc1ccccc1CN(C)C
InChIInChI=1S/C16H24N4/c1-4-11-20-15(9-10-18-20)12-17-16-8-6-5-7-14(16)13-19(2)3/h5-10,17H,4,11-13H2,1-3H3
InChIKeyGFMMLIFIFCBVPX-UHFFFAOYSA-N
XLogP2.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555084
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrazol-1-ylaniline
CID 114555172
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 114555092
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-ethylpyrazol-3-yl)methyl]methanamine
CID 115761553
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
1-ethyl-5-methyl-N-[(2-propylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166967
N-[(2-propylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 114555031
N',N'-dimethyl-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114554849
4-chloro-2-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555205
4-bromo-2,3-dichloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 107787931
1-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 43663267
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline (CID 114555445) is 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline is CCCn1nccc1CNc1ccccc1CN(C)C.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline?
The InChIKey is GFMMLIFIFCBVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-11-20-15(9-10-18-20)12-17-16-8-6-5-7-14(16)13-19(2)3/h5-10,17H,4,11-13H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline?
2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline has a molecular weight of 272.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[(2-propylpyrazol-3-yl)methyl]aniline is sourced from PubChem (CID 114555445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).