1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine

C8H11N5 — CID 23295373

IUPAC1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine
SMILESc1cnn(CNCn2cccn2)c1
InChIInChI=1S/C8H11N5/c1-3-10-12(5-1)7-9-8-13-6-2-4-11-13/h1-6,9H,7-8H2
InChIKeyBFFGZNZAFWHIJQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.28
Rot. Bonds4

About 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine

1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine (PubChem CID 23295373) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine
PubChem CID23295373
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine
SMILESc1cnn(CNCn2cccn2)c1
InChIInChI=1S/C8H11N5/c1-3-10-12(5-1)7-9-8-13-6-2-4-11-13/h1-6,9H,7-8H2
InChIKeyBFFGZNZAFWHIJQ-UHFFFAOYSA-N
XLogP0.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1'-Cyclopentylidenebis-1H-pyrazole
CID 853683
1-pyrazol-1-yl-N,N-bis(pyrazol-1-ylmethyl)methanamine
CID 361765
N-(4-Amino-butyl)-pyrazole-1-carboxamidine; hydrochloride
CID 44326665
1H-Pyrazole, 1,1'-methylenebis-
CID 123422
Tris(1-pyrazolyl)methane
CID 5243808
1,2-di(1H-pyrazol-1-yl)ethane
CID 14195550
Bis(2-(1h-pyrazol-1-yl)ethyl)amine
CID 61492073
1-(3-Pyrazol-1-ylpentan-3-yl)pyrazole
CID 5045892
1,1'-propane-2,2-diylbis(1H-pyrazole)
CID 10921041
1,1-Di(pyrazol-1-yl)cyclohexane
CID 591043
Bis(pyrazole-1-yl)ethane
CID 5245495
Di(pyrazol-1-yl)methanethione
CID 11182958

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine?
The IUPAC name of 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine (CID 23295373) is 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine.
What is the SMILES notation for 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine?
The canonical SMILES for 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine is c1cnn(CNCn2cccn2)c1.
What is the InChIKey of 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine?
The InChIKey is BFFGZNZAFWHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-3-10-12(5-1)7-9-8-13-6-2-4-11-13/h1-6,9H,7-8H2.
What are the key properties of 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine?
1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-N-(pyrazol-1-ylmethyl)methanamine is sourced from PubChem (CID 23295373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).