N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C19H25F2N3OS — CID 176716446

IUPACN-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCC(F)(F)CC2)c2sc(C(=O)NC3CCCCC3)cc12
InChIInChI=1S/C19H25F2N3OS/c1-12-15-11-16(17(25)22-13-5-3-2-4-6-13)26-18(15)24(23-12)14-7-9-19(20,21)10-8-14/h11,13-14H,2-10H2,1H3,(H,22,25)
InChIKeyNUBPOKOLCXGMBP-UHFFFAOYSA-N
MW381.49 g/mol
LogP5.22
Rot. Bonds3

About N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 176716446) has the molecular formula C19H25F2N3OS and a molecular weight of 381.49 g/mol. Its IUPAC name is N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID176716446
Molecular FormulaC19H25F2N3OS
Molecular Weight381.49 g/mol
Exact Mass381.17
IUPAC NameN-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C2CCC(F)(F)CC2)c2sc(C(=O)NC3CCCCC3)cc12
InChIInChI=1S/C19H25F2N3OS/c1-12-15-11-16(17(25)22-13-5-3-2-4-6-13)26-18(15)24(23-12)14-7-9-19(20,21)10-8-14/h11,13-14H,2-10H2,1H3,(H,22,25)
InChIKeyNUBPOKOLCXGMBP-UHFFFAOYSA-N
XLogP5.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(oxan-4-yl)-N-[4-(oxan-4-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 71768828
1-cyclohexyl-N-[(6S)-1-hydroxy-3-oxo-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-6-yl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91108050
N-cyclooctyl-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
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N-[4-[(2-amino-2-oxoethyl)amino]cyclohexyl]-3-methyl-1-(oxan-4-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 66827873
1-cyclohexyl-N-[2-(5-hydroxy-3-methyl-2-oxoimidazol-1-yl)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91472575
1-cyclohexyl-N-[4-(2-hydroxy-5-oxoimidazolidin-1-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 143163379
[4-[(1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]-ethylcarbamic acid
CID 89437723
1-cyclohexyl-N-[4-(4-hydroxy-2-oxo-1H-imidazol-3-yl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 91360653
N-[(2S)-2-benzylpyrrolidin-1-yl]-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
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[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]cyclohexyl]carbamic acid
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 176716446) is N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C2CCC(F)(F)CC2)c2sc(C(=O)NC3CCCCC3)cc12.
What is the InChIKey of N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is NUBPOKOLCXGMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3OS/c1-12-15-11-16(17(25)22-13-5-3-2-4-6-13)26-18(15)24(23-12)14-7-9-19(20,21)10-8-14/h11,13-14H,2-10H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4,4-difluorocyclohexyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 176716446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).