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

C11H17N5 — CID 61283897

IUPAC1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1ccn[nH]1
InChIInChI=1S/C11H17N5/c1-8-11(9(2)16(3)15-8)7-12-6-10-4-5-13-14-10/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyNKDACNWEQJCUOP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.05
Rot. Bonds4

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

1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 61283897) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID61283897
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1ccn[nH]1
InChIInChI=1S/C11H17N5/c1-8-11(9(2)16(3)15-8)7-12-6-10-4-5-13-14-10/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyNKDACNWEQJCUOP-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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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 61283897) is 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNCc1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is NKDACNWEQJCUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8-11(9(2)16(3)15-8)7-12-6-10-4-5-13-14-10/h4-5,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]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 1-(1H-pyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 61283897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).