N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide

C15H15Cl2N5O3 — CID 19615299

IUPACN-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N5O3/c1-21-12(14(23)19-13-10(17)6-9(16)8-18-13)7-11(20-21)15(24)22-2-4-25-5-3-22/h6-8H,2-5H2,1H3,(H,18,19,23)
InChIKeyYUWADHFPZUPJTC-UHFFFAOYSA-N
MW384.22 g/mol
LogP1.85
Rot. Bonds3

About N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide

N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 19615299) has the molecular formula C15H15Cl2N5O3 and a molecular weight of 384.22 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID19615299
Molecular FormulaC15H15Cl2N5O3
Molecular Weight384.22 g/mol
Exact Mass383.06
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N5O3/c1-21-12(14(23)19-13-10(17)6-9(16)8-18-13)7-11(20-21)15(24)22-2-4-25-5-3-22/h6-8H,2-5H2,1H3,(H,18,19,23)
InChIKeyYUWADHFPZUPJTC-UHFFFAOYSA-N
XLogP1.85
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 19615299) is N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide is Cn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is YUWADHFPZUPJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O3/c1-21-12(14(23)19-13-10(17)6-9(16)8-18-13)7-11(20-21)15(24)22-2-4-25-5-3-22/h6-8H,2-5H2,1H3,(H,18,19,23).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 384.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19615299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).