1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea

C15H19ClN6O — CID 71920845

IUPAC1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C15H19ClN6O/c1-21-12(4-7-19-21)9-18-15(23)20-11-5-8-22(10-11)14-13(16)3-2-6-17-14/h2-4,6-7,11H,5,8-10H2,1H3,(H2,18,20,23)
InChIKeyCTNYRFVWDLKUSY-UHFFFAOYSA-N
MW334.81 g/mol
LogP1.55
Rot. Bonds4

About 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea

1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 71920845) has the molecular formula C15H19ClN6O and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID71920845
Molecular FormulaC15H19ClN6O
Molecular Weight334.81 g/mol
Exact Mass334.13
IUPAC Name1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C15H19ClN6O/c1-21-12(4-7-19-21)9-18-15(23)20-11-5-8-22(10-11)14-13(16)3-2-6-17-14/h2-4,6-7,11H,5,8-10H2,1H3,(H2,18,20,23)
InChIKeyCTNYRFVWDLKUSY-UHFFFAOYSA-N
XLogP1.55
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea with MolForge

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Related Compounds

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2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloropyridin-2-yl)acetamide
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1-(3-Chlorophenyl)-3-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)urea
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CID 1225832
[4-[2-(2-Chlorophenyl)pyrazol-3-yl]-2-pyridinyl]urea
CID 69675873
US10343992, Example 267
CID 122590582
1-(2-chlorophenyl)-4-{[(1-methyl-pyrazol-3-yl)methyl]amino}-7-(trifluoro-methyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 71920845) is 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea is Cn1nccc1CNC(=O)NC1CCN(c2ncccc2Cl)C1.
What is the InChIKey of 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is CTNYRFVWDLKUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O/c1-21-12(4-7-19-21)9-18-15(23)20-11-5-8-22(10-11)14-13(16)3-2-6-17-14/h2-4,6-7,11H,5,8-10H2,1H3,(H2,18,20,23).
What are the key properties of 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 334.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 71920845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).