(3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone

C13H23N5O — CID 64523101

IUPAC(3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C13H23N5O/c1-10(2)3-4-17-5-7-18(8-6-17)13(19)11-9-12(14)16-15-11/h9-10H,3-8H2,1-2H3,(H3,14,15,16)
InChIKeyGGTWBLNAJSJGQD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.80
Rot. Bonds4

About (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone (PubChem CID 64523101) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
PubChem CID64523101
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
SMILESCC(C)CCN1CCN(C(=O)c2cc(N)n[nH]2)CC1
InChIInChI=1S/C13H23N5O/c1-10(2)3-4-17-5-7-18(8-6-17)13(19)11-9-12(14)16-15-11/h9-10H,3-8H2,1-2H3,(H3,14,15,16)
InChIKeyGGTWBLNAJSJGQD-UHFFFAOYSA-N
XLogP0.80
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone (CID 64523101) is (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone is CC(C)CCN1CCN(C(=O)c2cc(N)n[nH]2)CC1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
The InChIKey is GGTWBLNAJSJGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-10(2)3-4-17-5-7-18(8-6-17)13(19)11-9-12(14)16-15-11/h9-10H,3-8H2,1-2H3,(H3,14,15,16).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone has a molecular weight of 265.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 64523101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).