1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine

C13H19N5 — CID 66013633

IUPAC1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1cccc(C)n1
InChIInChI=1S/C13H19N5/c1-4-18-13(12(14)10(3)17-18)15-8-11-7-5-6-9(2)16-11/h5-7,15H,4,8,14H2,1-3H3
InChIKeyUKCPDVKQZUCRFF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds4

About 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine (PubChem CID 66013633) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine
PubChem CID66013633
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCc1cccc(C)n1
InChIInChI=1S/C13H19N5/c1-4-18-13(12(14)10(3)17-18)15-8-11-7-5-6-9(2)16-11/h5-7,15H,4,8,14H2,1-3H3
InChIKeyUKCPDVKQZUCRFF-UHFFFAOYSA-N
XLogP2.11
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-5-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4,5-diamine
CID 66013825
1-ethyl-3-methyl-5-N-(2-methylquinolin-8-yl)pyrazole-4,5-diamine
CID 66012854
5-N-[(2,4-difluorophenyl)methyl]-1-ethyl-3-methylpyrazole-4,5-diamine
CID 66013047
1-ethyl-3-methyl-5-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4,5-diamine
CID 66012067
1-ethyl-3-methyl-5-N-(1,3-thiazol-2-ylmethyl)pyrazole-4,5-diamine
CID 66013608
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66012005
5-N-(2,2-difluoroethyl)-1-ethyl-3-methylpyrazole-4,5-diamine
CID 115405464
1-ethyl-3-methyl-5-N-[2-(3-methylphenoxy)ethyl]pyrazole-4,5-diamine
CID 66011672
1-ethyl-3-methyl-5-N-(3-methylbutyl)pyrazole-4,5-diamine
CID 66011030
3-N-[(6-methyl-2-pyridinyl)methyl]benzene-1,3-diamine
CID 62323012
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine (CID 66013633) is 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCc1cccc(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine?
The InChIKey is UKCPDVKQZUCRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-18-13(12(14)10(3)17-18)15-8-11-7-5-6-9(2)16-11/h5-7,15H,4,8,14H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine has a molecular weight of 245.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-[(6-methyl-2-pyridinyl)methyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66013633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).