4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine

C12H17N5 — CID 146194662

IUPAC4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1cc(Cn2cc(CN)cn2)ccn1
InChIInChI=1S/C12H17N5/c1-16(2)12-5-10(3-4-14-12)8-17-9-11(6-13)7-15-17/h3-5,7,9H,6,8,13H2,1-2H3
InChIKeyQXCLLQBPECEEKC-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.85
Rot. Bonds4

About 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine

4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 146194662) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID146194662
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1cc(Cn2cc(CN)cn2)ccn1
InChIInChI=1S/C12H17N5/c1-16(2)12-5-10(3-4-14-12)8-17-9-11(6-13)7-15-17/h3-5,7,9H,6,8,13H2,1-2H3
InChIKeyQXCLLQBPECEEKC-UHFFFAOYSA-N
XLogP0.85
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine (CID 146194662) is 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1cc(Cn2cc(CN)cn2)ccn1.
What is the InChIKey of 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is QXCLLQBPECEEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16(2)12-5-10(3-4-14-12)8-17-9-11(6-13)7-15-17/h3-5,7,9H,6,8,13H2,1-2H3.
What are the key properties of 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine?
4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 146194662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).