1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea

C14H16ClN5O — CID 166292729

IUPAC1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
SMILESCCc1ccc(NC(=O)Nc2cn[nH]c2C2CC2)nc1Cl
InChIInChI=1S/C14H16ClN5O/c1-2-8-5-6-11(18-13(8)15)19-14(21)17-10-7-16-20-12(10)9-3-4-9/h5-7,9H,2-4H2,1H3,(H,16,20)(H2,17,18,19,21)
InChIKeyLKMUZXORCZJRKV-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.54
Rot. Bonds4

About 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea

1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea (PubChem CID 166292729) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
PubChem CID166292729
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea
SMILESCCc1ccc(NC(=O)Nc2cn[nH]c2C2CC2)nc1Cl
InChIInChI=1S/C14H16ClN5O/c1-2-8-5-6-11(18-13(8)15)19-14(21)17-10-7-16-20-12(10)9-3-4-9/h5-7,9H,2-4H2,1H3,(H,16,20)(H2,17,18,19,21)
InChIKeyLKMUZXORCZJRKV-UHFFFAOYSA-N
XLogP3.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The IUPAC name of 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea (CID 166292729) is 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea is CCc1ccc(NC(=O)Nc2cn[nH]c2C2CC2)nc1Cl.
What is the InChIKey of 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
The InChIKey is LKMUZXORCZJRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-2-8-5-6-11(18-13(8)15)19-14(21)17-10-7-16-20-12(10)9-3-4-9/h5-7,9H,2-4H2,1H3,(H,16,20)(H2,17,18,19,21).
What are the key properties of 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea?
1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea has a molecular weight of 305.77 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-ethyl-2-pyridinyl)-3-(5-cyclopropyl-1H-pyrazol-4-yl)urea is sourced from PubChem (CID 166292729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).