N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide

C19H20ClN3O2S — CID 19491036

IUPACN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCc1nn(CCNC(=O)c2cc(COc3ccccc3)cs2)c(C)c1Cl
InChIInChI=1S/C19H20ClN3O2S/c1-13-18(20)14(2)23(22-13)9-8-21-19(24)17-10-15(12-26-17)11-25-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,24)
InChIKeyDVEALDNJANKITF-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.22
Rot. Bonds7

About N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide

N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide (PubChem CID 19491036) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide
PubChem CID19491036
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC NameN-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide
SMILESCc1nn(CCNC(=O)c2cc(COc3ccccc3)cs2)c(C)c1Cl
InChIInChI=1S/C19H20ClN3O2S/c1-13-18(20)14(2)23(22-13)9-8-21-19(24)17-10-15(12-26-17)11-25-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,24)
InChIKeyDVEALDNJANKITF-UHFFFAOYSA-N
XLogP4.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490881
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19295429
N-(3,4-dimethylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490848
3-[(3-bromophenoxy)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19295448
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19492957
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19295521
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 19494666
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19295430
N-(3-fluoro-4-methylphenyl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490853
N-butyl-4-[(3-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19491241
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490992
4-[(2-chlorophenoxy)methyl]-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 19503232

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide (CID 19491036) is N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide is Cc1nn(CCNC(=O)c2cc(COc3ccccc3)cs2)c(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
The InChIKey is DVEALDNJANKITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-13-18(20)14(2)23(22-13)9-8-21-19(24)17-10-15(12-26-17)11-25-16-6-4-3-5-7-16/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide?
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide has a molecular weight of 389.91 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-(phenoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19491036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).