5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine

C12H17N5 — CID 43564929

IUPAC5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(N(C)Cc2ccccn2)c1N
InChIInChI=1S/C12H17N5/c1-9-11(13)12(17(3)15-9)16(2)8-10-6-4-5-7-14-10/h4-7H,8,13H2,1-3H3
InChIKeyGFXFREOZEZJIRF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.34
Rot. Bonds3

About 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine

5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine (PubChem CID 43564929) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
PubChem CID43564929
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
SMILESCc1nn(C)c(N(C)Cc2ccccn2)c1N
InChIInChI=1S/C12H17N5/c1-9-11(13)12(17(3)15-9)16(2)8-10-6-4-5-7-14-10/h4-7H,8,13H2,1-3H3
InChIKeyGFXFREOZEZJIRF-UHFFFAOYSA-N
XLogP1.34
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[methyl(pyridin-2-ylmethyl)amino]pyrazole-4-carbaldehyde
CID 43565126
1,3-dimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine
CID 43554069
1,3-dimethyl-5-N-(2-pyridin-2-ylethyl)pyrazole-4,5-diamine
CID 43554009
5-N-[(3-methoxyphenyl)methyl]-5-N,1,3-trimethylpyrazole-4,5-diamine
CID 61420309
4-(2-aminopropyl)-N,1,3-trimethyl-N-(2-pyridin-2-ylethyl)pyrazol-5-amine
CID 63785609
N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 171328176
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
4-(2-aminoethyl)-N-benzyl-N,1,3-trimethylpyrazol-5-amine
CID 63784911
N,4-dimethyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 171327483
2-[methyl(pyridin-2-ylmethyl)amino]phenol
CID 100991764

Frequently Asked Questions

What is the IUPAC name of 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine (CID 43564929) is 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine is Cc1nn(C)c(N(C)Cc2ccccn2)c1N.
What is the InChIKey of 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is GFXFREOZEZJIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-11(13)12(17(3)15-9)16(2)8-10-6-4-5-7-14-10/h4-7H,8,13H2,1-3H3.
What are the key properties of 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine?
5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 231.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1,3-trimethyl-5-N-(pyridin-2-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 43564929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).