(4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone

C19H19IN4O — CID 118526966

IUPAC(4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(I)cn1
InChIInChI=1S/C19H19IN4O/c20-18-12-21-24(14-18)19(25)23-9-7-22(8-10-23)13-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-12,14H,7-10,13H2
InChIKeyOPBMZDPVUURNKM-UHFFFAOYSA-N
MW446.29 g/mol
LogP3.43
Rot. Bonds2

About (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone

(4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 118526966) has the molecular formula C19H19IN4O and a molecular weight of 446.29 g/mol. Its IUPAC name is (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID118526966
Molecular FormulaC19H19IN4O
Molecular Weight446.29 g/mol
Exact Mass446.06
IUPAC Name(4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(I)cn1
InChIInChI=1S/C19H19IN4O/c20-18-12-21-24(14-18)19(25)23-9-7-22(8-10-23)13-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-12,14H,7-10,13H2
InChIKeyOPBMZDPVUURNKM-UHFFFAOYSA-N
XLogP3.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone 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-Bromopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526510
Methyl 1-[4-(naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carboxylate
CID 118526555
1-[4-(Naphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526557
1-[4-[(4-Phenylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526559
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594
(4-Methylpyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 118526739
[4-(Naphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526755
(4-Methylpyrazol-1-yl)-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 118526861
[4-[(4-Phenylphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118531126
1-[4-(Dinaphthalen-2-ylmethyl)piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 155557420
[4-(Dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 155561836
[4-(Dinaphthalen-2-ylmethyl)piperazin-1-yl]-pyrazol-1-ylmethanone
CID 155567316

Frequently Asked Questions

What is the IUPAC name of (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone (CID 118526966) is (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone is O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(I)cn1.
What is the InChIKey of (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is OPBMZDPVUURNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN4O/c20-18-12-21-24(14-18)19(25)23-9-7-22(8-10-23)13-15-5-6-16-3-1-2-4-17(16)11-15/h1-6,11-12,14H,7-10,13H2.
What are the key properties of (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone?
(4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 446.29 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodopyrazol-1-yl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 118526966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).