N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

C19H25N3O2S — CID 77086345

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3ccc(C4CCCO4)s3)CC2)n1
InChIInChI=1S/C19H25N3O2S/c1-13-10-14(2)22(21-13)12-19(7-8-19)11-20-18(23)17-6-5-16(25-17)15-4-3-9-24-15/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,20,23)
InChIKeyZYMXLXWHTZWCKA-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.62
Rot. Bonds6

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (PubChem CID 77086345) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
PubChem CID77086345
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3ccc(C4CCCO4)s3)CC2)n1
InChIInChI=1S/C19H25N3O2S/c1-13-10-14(2)22(21-13)12-19(7-8-19)11-20-18(23)17-6-5-16(25-17)15-4-3-9-24-15/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,20,23)
InChIKeyZYMXLXWHTZWCKA-UHFFFAOYSA-N
XLogP3.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide (CID 77086345) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is Cc1cc(C)n(CC2(CNC(=O)c3ccc(C4CCCO4)s3)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
The InChIKey is ZYMXLXWHTZWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-10-14(2)22(21-13)12-19(7-8-19)11-20-18(23)17-6-5-16(25-17)15-4-3-9-24-15/h5-6,10,15H,3-4,7-9,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 77086345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).