N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

C11H17N5 — CID 122166833

IUPACN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCc1cnn(C)c1CNCc1cnn(C)c1
InChIInChI=1S/C11H17N5/c1-9-4-14-16(3)11(9)7-12-5-10-6-13-15(2)8-10/h4,6,8,12H,5,7H2,1-3H3
InChIKeyPWQZIKIGPLFVIO-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.75
Rot. Bonds4

About N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (PubChem CID 122166833) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
PubChem CID122166833
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
SMILESCc1cnn(C)c1CNCc1cnn(C)c1
InChIInChI=1S/C11H17N5/c1-9-4-14-16(3)11(9)7-12-5-10-6-13-15(2)8-10/h4,6,8,12H,5,7H2,1-3H3
InChIKeyPWQZIKIGPLFVIO-UHFFFAOYSA-N
XLogP0.75
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine
CID 122166848
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-4-yl]methanamine;hydrochloride
CID 126968198
N-[(1,4-dimethylpyrazol-5-yl)methyl]ethanamine
CID 122165961
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 107319921
1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine (CID 122166833) is N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is Cc1cnn(C)c1CNCc1cnn(C)c1.
What is the InChIKey of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is PWQZIKIGPLFVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9-4-14-16(3)11(9)7-12-5-10-6-13-15(2)8-10/h4,6,8,12H,5,7H2,1-3H3.
What are the key properties of N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine?
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 219.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 122166833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).