4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide

C14H22ClN3O2 — CID 71686934

IUPAC4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)N(C)CC2(C)CCOCC2)n1
InChIInChI=1S/C14H22ClN3O2/c1-4-18-9-11(15)12(16-18)13(19)17(3)10-14(2)5-7-20-8-6-14/h9H,4-8,10H2,1-3H3
InChIKeyIEVPCFBOMSSVQC-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.45
Rot. Bonds4

About 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 71686934) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID71686934
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)N(C)CC2(C)CCOCC2)n1
InChIInChI=1S/C14H22ClN3O2/c1-4-18-9-11(15)12(16-18)13(19)17(3)10-14(2)5-7-20-8-6-14/h9H,4-8,10H2,1-3H3
InChIKeyIEVPCFBOMSSVQC-UHFFFAOYSA-N
XLogP2.45
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide (CID 71686934) is 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)N(C)CC2(C)CCOCC2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is IEVPCFBOMSSVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-18-9-11(15)12(16-18)13(19)17(3)10-14(2)5-7-20-8-6-14/h9H,4-8,10H2,1-3H3.
What are the key properties of 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 71686934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).