4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide

C10H19N5O — CID 174908867

IUPAC4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide
SMILESCc1cn[nH]c1C.NC(=O)C1CNCCN1
InChIInChI=1S/C5H11N3O.C5H8N2/c6-5(9)4-3-7-1-2-8-4;1-4-3-6-7-5(4)2/h4,7-8H,1-3H2,(H2,6,9);3H,1-2H3,(H,6,7)
InChIKeyGIKJKLAHMASHIU-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.94
Rot. Bonds1

About 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide

4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide (PubChem CID 174908867) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide
PubChem CID174908867
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide
SMILESCc1cn[nH]c1C.NC(=O)C1CNCCN1
InChIInChI=1S/C5H11N3O.C5H8N2/c6-5(9)4-3-7-1-2-8-4;1-4-3-6-7-5(4)2/h4,7-8H,1-3H2,(H2,6,9);3H,1-2H3,(H,6,7)
InChIKeyGIKJKLAHMASHIU-UHFFFAOYSA-N
XLogP-0.94
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide?
The IUPAC name of 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide (CID 174908867) is 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide is Cc1cn[nH]c1C.NC(=O)C1CNCCN1.
What is the InChIKey of 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide?
The InChIKey is GIKJKLAHMASHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.C5H8N2/c6-5(9)4-3-7-1-2-8-4;1-4-3-6-7-5(4)2/h4,7-8H,1-3H2,(H2,6,9);3H,1-2H3,(H,6,7).
What are the key properties of 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide?
4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide has a molecular weight of 225.30 g/mol, XLogP of -0.94, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1H-pyrazole;piperazine-2-carboxamide is sourced from PubChem (CID 174908867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).