N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine

C14H23N5 — CID 122166657

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
SMILESCc1nn(C)cc1CNCc1ccn(CC(C)C)n1
InChIInChI=1S/C14H23N5/c1-11(2)9-19-6-5-14(17-19)8-15-7-13-10-18(4)16-12(13)3/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyAGSYDKKHCSPTJY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.87
Rot. Bonds6

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine (PubChem CID 122166657) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
PubChem CID122166657
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
SMILESCc1nn(C)cc1CNCc1ccn(CC(C)C)n1
InChIInChI=1S/C14H23N5/c1-11(2)9-19-6-5-14(17-19)8-15-7-13-10-18(4)16-12(13)3/h5-6,10-11,15H,7-9H2,1-4H3
InChIKeyAGSYDKKHCSPTJY-UHFFFAOYSA-N
XLogP1.87
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine (CID 122166657) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine is Cc1nn(C)cc1CNCc1ccn(CC(C)C)n1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The InChIKey is AGSYDKKHCSPTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(2)9-19-6-5-14(17-19)8-15-7-13-10-18(4)16-12(13)3/h5-6,10-11,15H,7-9H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 122166657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).