1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine

C9H16N4 — CID 20649688

IUPAC1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine
SMILESCN1CCN(Cc2ccn[nH]2)CC1
InChIInChI=1S/C9H16N4/c1-12-4-6-13(7-5-12)8-9-2-3-10-11-9/h2-3H,4-8H2,1H3,(H,10,11)
InChIKeyBPWQCUSFLKCLQG-UHFFFAOYSA-N
MW180.26 g/mol
LogP0.16
Rot. Bonds2

About 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine

1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine (PubChem CID 20649688) has the molecular formula C9H16N4 and a molecular weight of 180.26 g/mol. Its IUPAC name is 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine
PubChem CID20649688
Molecular FormulaC9H16N4
Molecular Weight180.26 g/mol
Exact Mass180.14
IUPAC Name1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine
SMILESCN1CCN(Cc2ccn[nH]2)CC1
InChIInChI=1S/C9H16N4/c1-12-4-6-13(7-5-12)8-9-2-3-10-11-9/h2-3H,4-8H2,1H3,(H,10,11)
InChIKeyBPWQCUSFLKCLQG-UHFFFAOYSA-N
XLogP0.16
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine?
The IUPAC name of 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine (CID 20649688) is 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine.
What is the SMILES notation for 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine?
The canonical SMILES for 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine is CN1CCN(Cc2ccn[nH]2)CC1.
What is the InChIKey of 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine?
The InChIKey is BPWQCUSFLKCLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-12-4-6-13(7-5-12)8-9-2-3-10-11-9/h2-3H,4-8H2,1H3,(H,10,11).
What are the key properties of 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine?
1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine has a molecular weight of 180.26 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1H-pyrazol-5-ylmethyl)piperazine is sourced from PubChem (CID 20649688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).