1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

C20H19ClN4O — CID 97016691

IUPAC1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)N[C@@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C20H19ClN4O/c21-18-8-4-7-17-16(18)9-10-19(17)24-20(26)22-11-14-12-23-25(13-14)15-5-2-1-3-6-15/h1-8,12-13,19H,9-11H2,(H2,22,24,26)/t19-/m1/s1
InChIKeySDHJRIRPXYHVSX-LJQANCHMSA-N
MW366.85 g/mol
LogP4.01
Rot. Bonds4

About 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (PubChem CID 97016691) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
PubChem CID97016691
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
SMILESO=C(NCc1cnn(-c2ccccc2)c1)N[C@@H]1CCc2c(Cl)cccc21
InChIInChI=1S/C20H19ClN4O/c21-18-8-4-7-17-16(18)9-10-19(17)24-20(26)22-11-14-12-23-25(13-14)15-5-2-1-3-6-15/h1-8,12-13,19H,9-11H2,(H2,22,24,26)/t19-/m1/s1
InChIKeySDHJRIRPXYHVSX-LJQANCHMSA-N
XLogP4.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea 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-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71886534
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 111630456
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 99792880
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 110936520
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 55506674
1-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 94067419
[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]urea
CID 129403037
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110904136
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea (CID 97016691) is 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is O=C(NCc1cnn(-c2ccccc2)c1)N[C@@H]1CCc2c(Cl)cccc21.
What is the InChIKey of 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
The InChIKey is SDHJRIRPXYHVSX-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19ClN4O/c21-18-8-4-7-17-16(18)9-10-19(17)24-20(26)22-11-14-12-23-25(13-14)15-5-2-1-3-6-15/h1-8,12-13,19H,9-11H2,(H2,22,24,26)/t19-/m1/s1.
What are the key properties of 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea?
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea has a molecular weight of 366.85 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 97016691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).