N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide

C18H18FN3O2S — CID 74235834

IUPACN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)s1
InChIInChI=1S/C18H18FN3O2S/c1-22(18(23)16-8-7-15(25-16)11-24-2)10-13-9-20-21-17(13)12-3-5-14(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyUDAZCVMHRWHIKE-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.70
Rot. Bonds6

About N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide

N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide (PubChem CID 74235834) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide
PubChem CID74235834
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)s1
InChIInChI=1S/C18H18FN3O2S/c1-22(18(23)16-8-7-15(25-16)11-24-2)10-13-9-20-21-17(13)12-3-5-14(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,21)
InChIKeyUDAZCVMHRWHIKE-UHFFFAOYSA-N
XLogP3.70
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide (CID 74235834) is N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide is COCc1ccc(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)s1.
What is the InChIKey of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide?
The InChIKey is UDAZCVMHRWHIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-22(18(23)16-8-7-15(25-16)11-24-2)10-13-9-20-21-17(13)12-3-5-14(19)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide?
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(methoxymethyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 74235834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).