4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide

C9H13ClN4O2 — CID 4767815

IUPAC4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NN1CCOCC1
InChIInChI=1S/C9H13ClN4O2/c1-13-8(7(10)6-11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15)
InChIKeyKDHMXHLHLKBGJS-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.05
Rot. Bonds2

About 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide

4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide (PubChem CID 4767815) has the molecular formula C9H13ClN4O2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
PubChem CID4767815
Molecular FormulaC9H13ClN4O2
Molecular Weight244.68 g/mol
Exact Mass244.07
IUPAC Name4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)NN1CCOCC1
InChIInChI=1S/C9H13ClN4O2/c1-13-8(7(10)6-11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15)
InChIKeyKDHMXHLHLKBGJS-UHFFFAOYSA-N
XLogP0.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide (CID 4767815) is 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)NN1CCOCC1.
What is the InChIKey of 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
The InChIKey is KDHMXHLHLKBGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O2/c1-13-8(7(10)6-11-13)9(15)12-14-2-4-16-5-3-14/h6H,2-5H2,1H3,(H,12,15).
What are the key properties of 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide?
4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide has a molecular weight of 244.68 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-morpholin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 4767815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).