N,N-bis(pyrazol-1-ylmethyl)aniline

C14H15N5 — CID 12820759

IUPACN,N-bis(pyrazol-1-ylmethyl)aniline
SMILESc1ccc(N(Cn2cccn2)Cn2cccn2)cc1
InChIInChI=1S/C14H15N5/c1-2-6-14(7-3-1)17(12-18-10-4-8-15-18)13-19-11-5-9-16-19/h1-11H,12-13H2
InChIKeyFZLRKSWBBOYDKD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.20
Rot. Bonds5

About N,N-bis(pyrazol-1-ylmethyl)aniline

N,N-bis(pyrazol-1-ylmethyl)aniline (PubChem CID 12820759) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N,N-bis(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN,N-bis(pyrazol-1-ylmethyl)aniline
PubChem CID12820759
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN,N-bis(pyrazol-1-ylmethyl)aniline
SMILESc1ccc(N(Cn2cccn2)Cn2cccn2)cc1
InChIInChI=1S/C14H15N5/c1-2-6-14(7-3-1)17(12-18-10-4-8-15-18)13-19-11-5-9-16-19/h1-11H,12-13H2
InChIKeyFZLRKSWBBOYDKD-UHFFFAOYSA-N
XLogP2.20
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Phenylpyrazole
CID 70769
N,N-bis((3,5-dimethylpyrazol-1-yl)methyl)aniline
CID 404563
1-Phenyl-3-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]pyrazole
CID 53602699
2-Phenyl-4-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]triazole
CID 56780435
1-(1-ethyl-1H-pyrazol-4-yl)-N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylmethanamine
CID 56909472
1-[2,4-Difluoro-5-(3-methylpyrazol-1-yl)phenyl]-3-methylpyrazole
CID 58965512
3,5-Dimethyl-1-[4-(1H-pyrrol-1-yl)phenyl]-1H-pyrazole
CID 617033
1,1'-Dimethyl-1H,1'H-[3,3']bipyrazolyl
CID 21724023
N,N-bis((1h-pyrazol-1-yl)methyl)-4-fluoroaniline
CID 102288819
Bis(diazol-1-yl)-fluorobenzene
CID 129777424
N,N-bis((3,5-dimethyl-1h-pyrazol-1-yl)methyl)-4-fluoroaniline
CID 166436407
1-[(Z)-1-phenyl-2-pyrazol-1-ylethenyl]pyrazole
CID 5293146

Frequently Asked Questions

What is the IUPAC name of N,N-bis(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N,N-bis(pyrazol-1-ylmethyl)aniline (CID 12820759) is N,N-bis(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N,N-bis(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N,N-bis(pyrazol-1-ylmethyl)aniline is c1ccc(N(Cn2cccn2)Cn2cccn2)cc1.
What is the InChIKey of N,N-bis(pyrazol-1-ylmethyl)aniline?
The InChIKey is FZLRKSWBBOYDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-6-14(7-3-1)17(12-18-10-4-8-15-18)13-19-11-5-9-16-19/h1-11H,12-13H2.
What are the key properties of N,N-bis(pyrazol-1-ylmethyl)aniline?
N,N-bis(pyrazol-1-ylmethyl)aniline has a molecular weight of 253.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 12820759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).