N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine

C12H19N5 — CID 71971585

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine
SMILESCCn1nc(C)c(CNc2ccn(C)n2)c1C
InChIInChI=1S/C12H19N5/c1-5-17-10(3)11(9(2)14-17)8-13-12-6-7-16(4)15-12/h6-7H,5,8H2,1-4H3,(H,13,15)
InChIKeyKNICMOJCEHOBOY-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.87
Rot. Bonds4

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine (PubChem CID 71971585) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine
PubChem CID71971585
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine
SMILESCCn1nc(C)c(CNc2ccn(C)n2)c1C
InChIInChI=1S/C12H19N5/c1-5-17-10(3)11(9(2)14-17)8-13-12-6-7-16(4)15-12/h6-7H,5,8H2,1-4H3,(H,13,15)
InChIKeyKNICMOJCEHOBOY-UHFFFAOYSA-N
XLogP1.87
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[[2,4,6-trimethyl-3-[[(1-methylpyrazol-3-yl)amino]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]methyl]phenyl]methyl]pyrazol-3-amine
CID 122206251
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylpyrazol-3-amine
CID 19626399
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
CID 62392134
1-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine
CID 130599823
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylpyrazol-3-amine
CID 79778271
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19575675
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
2-[3,5-dimethyl-4-[[(6-methyl-2-pyridinyl)amino]methyl]pyrazol-1-yl]ethanol
CID 110905729
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
N-[(4-iodophenyl)methyl]-1-methylpyrazol-3-amine
CID 79778850

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine (CID 71971585) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine is CCn1nc(C)c(CNc2ccn(C)n2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is KNICMOJCEHOBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-17-10(3)11(9(2)14-17)8-13-12-6-7-16(4)15-12/h6-7H,5,8H2,1-4H3,(H,13,15).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 233.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 71971585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).