1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine

C14H22N4 — CID 66022281

IUPAC1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine
SMILESCc1nn(C(C)C)cc1C#CCN1CCNCC1
InChIInChI=1S/C14H22N4/c1-12(2)18-11-14(13(3)16-18)5-4-8-17-9-6-15-7-10-17/h11-12,15H,6-10H2,1-3H3
InChIKeyXHSZQCQIIGWTSC-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.03
Rot. Bonds2

About 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine

1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine (PubChem CID 66022281) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine.

Molecular Properties

Compound Name1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine
PubChem CID66022281
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine
SMILESCc1nn(C(C)C)cc1C#CCN1CCNCC1
InChIInChI=1S/C14H22N4/c1-12(2)18-11-14(13(3)16-18)5-4-8-17-9-6-15-7-10-17/h11-12,15H,6-10H2,1-3H3
InChIKeyXHSZQCQIIGWTSC-UHFFFAOYSA-N
XLogP1.03
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine
CID 82509495
1-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-ynyl]piperazine
CID 60802014
1-[3-(5-fluoro-2-methylphenyl)prop-2-ynyl]piperazine
CID 60799773
1-[3-(2,3,5,6-tetramethylphenyl)prop-2-ynyl]piperazine
CID 60799948
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64771238
4-(3-piperazin-1-ylprop-1-ynyl)-1,2-thiazole
CID 164648652
6-piperazin-1-yl-2-propan-2-yl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridine
CID 25248608
3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
CID 146481728
1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
CID 117269597
1-[3-(3-bromofuran-2-yl)prop-2-ynyl]piperazine
CID 63947780
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
1-(5,5-dimethylhex-2-ynyl)piperazine
CID 117269584

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine?
The IUPAC name of 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine (CID 66022281) is 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine.
What is the SMILES notation for 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine?
The canonical SMILES for 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine is Cc1nn(C(C)C)cc1C#CCN1CCNCC1.
What is the InChIKey of 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine?
The InChIKey is XHSZQCQIIGWTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12(2)18-11-14(13(3)16-18)5-4-8-17-9-6-15-7-10-17/h11-12,15H,6-10H2,1-3H3.
What are the key properties of 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine?
1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine has a molecular weight of 246.36 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1-propan-2-ylpyrazol-4-yl)prop-2-ynyl]piperazine is sourced from PubChem (CID 66022281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).