N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

C11H17N5 — CID 61068870

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCc1n[nH]c(C)c1CNCc1ccnn1C
InChIInChI=1S/C11H17N5/c1-8-11(9(2)15-14-8)7-12-6-10-4-5-13-16(10)3/h4-5,12H,6-7H2,1-3H3,(H,14,15)
InChIKeyMMDBGESZCZFEEA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.05
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 61068870) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID61068870
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCc1n[nH]c(C)c1CNCc1ccnn1C
InChIInChI=1S/C11H17N5/c1-8-11(9(2)15-14-8)7-12-6-10-4-5-13-16(10)3/h4-5,12H,6-7H2,1-3H3,(H,14,15)
InChIKeyMMDBGESZCZFEEA-UHFFFAOYSA-N
XLogP1.05
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681351
N',N'-diethyl-N-[(2-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 43663207
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 113442300
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111
1-(5-bromo-2-fluorophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 61068725
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
N-(furan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)methanamine
CID 19626581
N-[(5-methoxythiophen-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115702299

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 61068870) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is Cc1n[nH]c(C)c1CNCc1ccnn1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is MMDBGESZCZFEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-11(9(2)15-14-8)7-12-6-10-4-5-13-16(10)3/h4-5,12H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 61068870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).