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

C12H20ClN3O2 — CID 19263506

IUPAC4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCCOC(C)C)n1
InChIInChI=1S/C12H20ClN3O2/c1-4-16-8-10(13)11(15-16)12(17)14-6-5-7-18-9(2)3/h8-9H,4-7H2,1-3H3,(H,14,17)
InChIKeyYPRPBSJOBYJERP-UHFFFAOYSA-N
MW273.76 g/mol
LogP2.10
Rot. Bonds7

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

4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (PubChem CID 19263506) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
PubChem CID19263506
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCCCOC(C)C)n1
InChIInChI=1S/C12H20ClN3O2/c1-4-16-8-10(13)11(15-16)12(17)14-6-5-7-18-9(2)3/h8-9H,4-7H2,1-3H3,(H,14,17)
InChIKeyYPRPBSJOBYJERP-UHFFFAOYSA-N
XLogP2.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 52.10
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-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide (CID 19263506) is 4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NCCCOC(C)C)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
The InChIKey is YPRPBSJOBYJERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2/c1-4-16-8-10(13)11(15-16)12(17)14-6-5-7-18-9(2)3/h8-9H,4-7H2,1-3H3,(H,14,17).
What are the key properties of 4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide has a molecular weight of 273.76 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19263506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).