N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H22FN3O — CID 77090690

IUPACN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCCC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C19H22FN3O/c20-14-6-3-5-13(11-14)19(9-1-2-10-19)12-21-18(24)17-15-7-4-8-16(15)22-23-17/h3,5-6,11H,1-2,4,7-10,12H2,(H,21,24)(H,22,23)
InChIKeyQTRYUUFEMCSRLN-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.28
Rot. Bonds4

About N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 77090690) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID77090690
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCC1(c2cccc(F)c2)CCCC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C19H22FN3O/c20-14-6-3-5-13(11-14)19(9-1-2-10-19)12-21-18(24)17-15-7-4-8-16(15)22-23-17/h3,5-6,11H,1-2,4,7-10,12H2,(H,21,24)(H,22,23)
InChIKeyQTRYUUFEMCSRLN-UHFFFAOYSA-N
XLogP3.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 132968647
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pyridine-4-carboxamide
CID 110482056
N-[(2-fluorophenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388826
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71709201
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide
CID 118774604
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111335377
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
N-[(3-hydroxythiolan-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71981864
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 77090690) is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCC1(c2cccc(F)c2)CCCC1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is QTRYUUFEMCSRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-14-6-3-5-13(11-14)19(9-1-2-10-19)12-21-18(24)17-15-7-4-8-16(15)22-23-17/h3,5-6,11H,1-2,4,7-10,12H2,(H,21,24)(H,22,23).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 77090690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).