1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine

C19H27N5 — CID 111070652

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine
SMILESCc1cc(C)n(CC(C)C/N=C(\N)Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C19H27N5/c1-13(12-24-15(3)9-14(2)23-24)11-21-19(20)22-18-8-7-16-5-4-6-17(16)10-18/h7-10,13H,4-6,11-12H2,1-3H3,(H3,20,21,22)
InChIKeyUKSQWTBYAMPQHS-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.05
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine (PubChem CID 111070652) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine
PubChem CID111070652
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine
SMILESCc1cc(C)n(CC(C)C/N=C(\N)Nc2ccc3c(c2)CCC3)n1
InChIInChI=1S/C19H27N5/c1-13(12-24-15(3)9-14(2)23-24)11-21-19(20)22-18-8-7-16-5-4-6-17(16)10-18/h7-10,13H,4-6,11-12H2,1-3H3,(H3,20,21,22)
InChIKeyUKSQWTBYAMPQHS-UHFFFAOYSA-N
XLogP3.05
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine 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-(2,3-dihydro-1H-inden-5-yl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074690
1-(3-chloro-4-methoxyphenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine
CID 111070666
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055135
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]guanidine;hydroiodide
CID 119159418
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine
CID 111026228
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111086053
1-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119118827
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758157
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056448
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propan-2-yloxyethyl)guanidine;hydroiodide
CID 110032707
1-(2,3-dihydro-1H-inden-5-yl)-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120641

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine (CID 111070652) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine is Cc1cc(C)n(CC(C)C/N=C(\N)Nc2ccc3c(c2)CCC3)n1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine?
The InChIKey is UKSQWTBYAMPQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c1-13(12-24-15(3)9-14(2)23-24)11-21-19(20)22-18-8-7-16-5-4-6-17(16)10-18/h7-10,13H,4-6,11-12H2,1-3H3,(H3,20,21,22).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine has a molecular weight of 325.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]guanidine is sourced from PubChem (CID 111070652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).