1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C11H18N4O2 — CID 19262651

IUPAC1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C11H18N4O2/c1-14-4-2-10(13-14)11(16)12-3-5-15-6-8-17-9-7-15/h2,4H,3,5-9H2,1H3,(H,12,16)
InChIKeyQDAJWRZPNXPGSU-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.52
Rot. Bonds4

About 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 19262651) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID19262651
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C11H18N4O2/c1-14-4-2-10(13-14)11(16)12-3-5-15-6-8-17-9-7-15/h2,4H,3,5-9H2,1H3,(H,12,16)
InChIKeyQDAJWRZPNXPGSU-UHFFFAOYSA-N
XLogP-0.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 19262651) is 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Cn1ccc(C(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is QDAJWRZPNXPGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-14-4-2-10(13-14)11(16)12-3-5-15-6-8-17-9-7-15/h2,4H,3,5-9H2,1H3,(H,12,16).
What are the key properties of 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of -0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19262651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).