1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea

C21H19ClN8O — CID 166231140

IUPAC1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)Nc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H19ClN8O/c22-16-5-1-14(2-6-16)12-29-13-18(11-23-29)25-21(31)24-17-7-3-15(4-8-17)20-26-27-28-30(20)19-9-10-19/h1-8,11,13,19H,9-10,12H2,(H2,24,25,31)
InChIKeyQZYIUTNUXPQBLI-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.22
Rot. Bonds6

About 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea

1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea (PubChem CID 166231140) has the molecular formula C21H19ClN8O and a molecular weight of 434.89 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea
PubChem CID166231140
Molecular FormulaC21H19ClN8O
Molecular Weight434.89 g/mol
Exact Mass434.14
IUPAC Name1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2nnnn2C2CC2)cc1)Nc1cnn(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H19ClN8O/c22-16-5-1-14(2-6-16)12-29-13-18(11-23-29)25-21(31)24-17-7-3-15(4-8-17)20-26-27-28-30(20)19-9-10-19/h1-8,11,13,19H,9-10,12H2,(H2,24,25,31)
InChIKeyQZYIUTNUXPQBLI-UHFFFAOYSA-N
XLogP4.22
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]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

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 55698362
1-(3-chloro-4-fluorophenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 25237620
1-(1-adamantyl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]urea
CID 19447772
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976450
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-naphthalen-1-ylurea
CID 17266709
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]cyclopropanecarboxamide
CID 19400039
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
(2R)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 35593011
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]oxolane-2-carboxamide
CID 71993905
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]piperidine-3-carboxamide;hydrochloride
CID 126786611

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea (CID 166231140) is 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea is O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)Nc1cnn(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea?
The InChIKey is QZYIUTNUXPQBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN8O/c22-16-5-1-14(2-6-16)12-29-13-18(11-23-29)25-21(31)24-17-7-3-15(4-8-17)20-26-27-28-30(20)19-9-10-19/h1-8,11,13,19H,9-10,12H2,(H2,24,25,31).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea?
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea has a molecular weight of 434.89 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[4-(1-cyclopropyltetrazol-5-yl)phenyl]urea is sourced from PubChem (CID 166231140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).