4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide

C11H18ClN3O2 — CID 17144561

IUPAC4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H18ClN3O2/c1-8(2)17-6-4-5-13-11(16)10-9(12)7-14-15(10)3/h7-8H,4-6H2,1-3H3,(H,13,16)
InChIKeyYUNDXDJMTOEOPA-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.62
Rot. Bonds6

About 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide (PubChem CID 17144561) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
PubChem CID17144561
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide
SMILESCC(C)OCCCNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H18ClN3O2/c1-8(2)17-6-4-5-13-11(16)10-9(12)7-14-15(10)3/h7-8H,4-6H2,1-3H3,(H,13,16)
InChIKeyYUNDXDJMTOEOPA-UHFFFAOYSA-N
XLogP1.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.62
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 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide (CID 17144561) is 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide is CC(C)OCCCNC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide?
The InChIKey is YUNDXDJMTOEOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-8(2)17-6-4-5-13-11(16)10-9(12)7-14-15(10)3/h7-8H,4-6H2,1-3H3,(H,13,16).
What are the key properties of 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide has a molecular weight of 259.74 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(3-propan-2-yloxypropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 17144561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).