4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide

C10H15ClN4O2 — CID 4768702

IUPAC4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NN2CCOCC2)nn1C
InChIInChI=1S/C10H15ClN4O2/c1-7-8(11)9(12-14(7)2)10(16)13-15-3-5-17-6-4-15/h3-6H2,1-2H3,(H,13,16)
InChIKeyQLKFWBBUVIMFDQ-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.36
Rot. Bonds2

About 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide

4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide (PubChem CID 4768702) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
PubChem CID4768702
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NN2CCOCC2)nn1C
InChIInChI=1S/C10H15ClN4O2/c1-7-8(11)9(12-14(7)2)10(16)13-15-3-5-17-6-4-15/h3-6H2,1-2H3,(H,13,16)
InChIKeyQLKFWBBUVIMFDQ-UHFFFAOYSA-N
XLogP0.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide (CID 4768702) is 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)NN2CCOCC2)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide?
The InChIKey is QLKFWBBUVIMFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c1-7-8(11)9(12-14(7)2)10(16)13-15-3-5-17-6-4-15/h3-6H2,1-2H3,(H,13,16).
What are the key properties of 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide?
4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide has a molecular weight of 258.71 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-morpholin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 4768702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).