4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde

C9H14N4O — CID 142405175

IUPAC4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde
SMILESCn1nccc1N1CCN(C=O)CC1
InChIInChI=1S/C9H14N4O/c1-11-9(2-3-10-11)13-6-4-12(8-14)5-7-13/h2-3,8H,4-7H2,1H3
InChIKeyPRCPVNDZKUTVII-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.30
Rot. Bonds2

About 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde

4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde (PubChem CID 142405175) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde
PubChem CID142405175
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde
SMILESCn1nccc1N1CCN(C=O)CC1
InChIInChI=1S/C9H14N4O/c1-11-9(2-3-10-11)13-6-4-12(8-14)5-7-13/h2-3,8H,4-7H2,1H3
InChIKeyPRCPVNDZKUTVII-UHFFFAOYSA-N
XLogP-0.30
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde 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

4-methyl-1-(2-methylpyrazol-3-yl)piperidine
CID 130250395
2-(2-methylpyrazol-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 141420777
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde
CID 177170624
4-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112888374
tert-butyl (2S)-2-methyl-4-(2-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 134500707
4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbaldehyde
CID 7424110
4-(3,5-dimethylphenyl)piperazine-1-carbaldehyde
CID 142695592
4-[5-[(E)-hydroxyiminomethyl]-6-methyl-2-pyridinyl]piperazine-1-carbaldehyde
CID 102546328
methanol;2-methylpyrazole-3-carbaldehyde
CID 143813492
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
4-[6-(4-ethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112870818

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde (CID 142405175) is 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde is Cn1nccc1N1CCN(C=O)CC1.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde?
The InChIKey is PRCPVNDZKUTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-11-9(2-3-10-11)13-6-4-12(8-14)5-7-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde?
4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde has a molecular weight of 194.24 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)piperazine-1-carbaldehyde is sourced from PubChem (CID 142405175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).