1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea

C14H17ClN6O — CID 30295842

IUPAC1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1nnnn1C1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN6O/c15-10-4-3-5-11(8-10)17-14(22)16-9-13-18-19-20-21(13)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,16,17,22)
InChIKeyBKGYXBUOJUXTJJ-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.76
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea

1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea (PubChem CID 30295842) has the molecular formula C14H17ClN6O and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
PubChem CID30295842
Molecular FormulaC14H17ClN6O
Molecular Weight320.78 g/mol
Exact Mass320.12
IUPAC Name1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
SMILESO=C(NCc1nnnn1C1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN6O/c15-10-4-3-5-11(8-10)17-14(22)16-9-13-18-19-20-21(13)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,16,17,22)
InChIKeyBKGYXBUOJUXTJJ-UHFFFAOYSA-N
XLogP2.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
1-(3-chlorophenyl)-3-[(1-methyltetrazol-5-yl)methyl]urea
CID 110874649
1-[(4-chlorophenyl)methyl]-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea
CID 30295905
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
N-(3-chlorophenyl)-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropanamide
CID 52546923
[2-[(1-cyclopentyltetrazol-5-yl)methylcarbamoylamino]phenyl] acetate
CID 30295899
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
5-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]-2-nitrobenzamide
CID 30295444
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
1-(3-chlorophenyl)-3-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]urea
CID 51250454
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971
N-[(1-cyclopentyltetrazol-5-yl)methyl]propanamide
CID 30295250

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea (CID 30295842) is 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea is O=C(NCc1nnnn1C1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea?
The InChIKey is BKGYXBUOJUXTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O/c15-10-4-3-5-11(8-10)17-14(22)16-9-13-18-19-20-21(13)12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2,(H2,16,17,22).
What are the key properties of 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea?
1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea has a molecular weight of 320.78 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(1-cyclopentyltetrazol-5-yl)methyl]urea is sourced from PubChem (CID 30295842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).