N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline

C16H19N5 — CID 103818614

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
SMILESCCn1cc(CNc2ccccc2Cn2cccn2)cn1
InChIInChI=1S/C16H19N5/c1-2-20-12-14(11-19-20)10-17-16-7-4-3-6-15(16)13-21-9-5-8-18-21/h3-9,11-12,17H,2,10,13H2,1H3
InChIKeyJPHYBDPXWBZZKT-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.76
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline

N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline (PubChem CID 103818614) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
PubChem CID103818614
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
SMILESCCn1cc(CNc2ccccc2Cn2cccn2)cn1
InChIInChI=1S/C16H19N5/c1-2-20-12-14(11-19-20)10-17-16-7-4-3-6-15(16)13-21-9-5-8-18-21/h3-9,11-12,17H,2,10,13H2,1H3
InChIKeyJPHYBDPXWBZZKT-UHFFFAOYSA-N
XLogP2.76
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-[(1-ethylpyrazol-4-yl)methylamino]phenyl]methyl]imidazolidin-2-one
CID 75500054
3-[[2-(pyrazol-1-ylmethyl)anilino]methyl]phenol
CID 43693851
N-[(2-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 43693889
N-[(1-ethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 103825717
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-methyl-2-[2-[(1-propylpyrazol-4-yl)methylamino]phenyl]acetamide
CID 103818567
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 104819670
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
N-[(3-methyloxetan-3-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 107235050
N-[(4-chlorothiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline
CID 79419714
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 102808181
2-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103817661

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline (CID 103818614) is N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline is CCn1cc(CNc2ccccc2Cn2cccn2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
The InChIKey is JPHYBDPXWBZZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-20-12-14(11-19-20)10-17-16-7-4-3-6-15(16)13-21-9-5-8-18-21/h3-9,11-12,17H,2,10,13H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline?
N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline has a molecular weight of 281.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 103818614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).