N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine

C17H21N5 — CID 28768086

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
SMILESCc1nn(C)cc1CN(C)Cc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H21N5/c1-13-16(12-22(3)20-13)11-21(2)10-14-4-6-15(7-5-14)17-8-9-18-19-17/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyNKLHPGIPQHTSML-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.75
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine (PubChem CID 28768086) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
PubChem CID28768086
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine
SMILESCc1nn(C)cc1CN(C)Cc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C17H21N5/c1-13-16(12-22(3)20-13)11-21(2)10-14-4-6-15(7-5-14)17-8-9-18-19-17/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyNKLHPGIPQHTSML-UHFFFAOYSA-N
XLogP2.75
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine (CID 28768086) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine is Cc1nn(C)cc1CN(C)Cc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
The InChIKey is NKLHPGIPQHTSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-13-16(12-22(3)20-13)11-21(2)10-14-4-6-15(7-5-14)17-8-9-18-19-17/h4-9,12H,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine has a molecular weight of 295.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-[4-(1H-pyrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 28768086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).