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

C12H23N5 — CID 63897981

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCC1CN(C)CCN1C
InChIInChI=1S/C12H23N5/c1-10-11(7-14-15-10)6-13-8-12-9-16(2)4-5-17(12)3/h7,12-13H,4-6,8-9H2,1-3H3,(H,14,15)
InChIKeyBCCYCSKVGLHNEI-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.05
Rot. Bonds4

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

1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 63897981) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID63897981
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1[nH]ncc1CNCC1CN(C)CCN1C
InChIInChI=1S/C12H23N5/c1-10-11(7-14-15-10)6-13-8-12-9-16(2)4-5-17(12)3/h7,12-13H,4-6,8-9H2,1-3H3,(H,14,15)
InChIKeyBCCYCSKVGLHNEI-UHFFFAOYSA-N
XLogP0.05
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine (CID 63897981) is 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1[nH]ncc1CNCC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is BCCYCSKVGLHNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10-11(7-14-15-10)6-13-8-12-9-16(2)4-5-17(12)3/h7,12-13H,4-6,8-9H2,1-3H3,(H,14,15).
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 63897981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).