N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide

C13H22N4O2 — CID 77092439

IUPACN-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCCCN1CCOCC1)C(=O)c1cn[nH]c1
InChIInChI=1S/C13H22N4O2/c1-16(13(18)12-10-14-15-11-12)4-2-3-5-17-6-8-19-9-7-17/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyYGCPWMIFEWJJKN-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.59
Rot. Bonds6

About N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide

N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide (PubChem CID 77092439) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
PubChem CID77092439
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCCCN1CCOCC1)C(=O)c1cn[nH]c1
InChIInChI=1S/C13H22N4O2/c1-16(13(18)12-10-14-15-11-12)4-2-3-5-17-6-8-19-9-7-17/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyYGCPWMIFEWJJKN-UHFFFAOYSA-N
XLogP0.59
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide (CID 77092439) is N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide is CN(CCCCN1CCOCC1)C(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide?
The InChIKey is YGCPWMIFEWJJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(13(18)12-10-14-15-11-12)4-2-3-5-17-6-8-19-9-7-17/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide?
N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77092439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).