N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H18F3N3O — CID 71862019

IUPACN-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)8-20(7-9-3-1-4-9)13(21)12-10-5-2-6-11(10)18-19-12/h9H,1-8H2,(H,18,19)
InChIKeyIUWDHUMRYKJNIT-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.70
Rot. Bonds4

About N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 71862019) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID71862019
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC NameN-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(c1n[nH]c2c1CCC2)N(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)8-20(7-9-3-1-4-9)13(21)12-10-5-2-6-11(10)18-19-12/h9H,1-8H2,(H,18,19)
InChIKeyIUWDHUMRYKJNIT-UHFFFAOYSA-N
XLogP2.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
5-(cyclobutylmethyl)-N,N-dimethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97389037
4-(Cyclopropylmethyl)-3-isopropyl-1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)-1,4-diazepan-5-one
CID 56871303
N-(Propan-2-YL)-1H,4H,5H,6H,7H,8H,9H-cycloocta[C]pyrazole-3-carboxamide
CID 53017383
N-{[(2S,4S)-4-fluoro-1-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylcarbonyl)pyrrolidin-2-yl]methyl}cyclohexanecarboxamide
CID 70730025
3-ethyl-4-methyl-N-[(1S*,3aS*,6aS*)-octahydropentalen-1-yl]-1H-pyrazole-5-carboxamide
CID 70741225
N-[1-(aminomethyl)cyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75513734
pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94913763
(6S)-2-(3-methylbutyl)-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96365393
3,3-Dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one
CID 100678674
N-(cyclohex-1-en-1-ylmethyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 119061793
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 164639366

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 71862019) is N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(c1n[nH]c2c1CCC2)N(CC1CCC1)CC(F)(F)F.
What is the InChIKey of N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is IUWDHUMRYKJNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)8-20(7-9-3-1-4-9)13(21)12-10-5-2-6-11(10)18-19-12/h9H,1-8H2,(H,18,19).
What are the key properties of N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-(2,2,2-trifluoroethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 71862019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).