(4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine

C13H21N3 — CID 97181762

IUPAC(4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
SMILESCN[C@H]1CCc2c1cnn2C1CCCCC1
InChIInChI=1S/C13H21N3/c1-14-12-7-8-13-11(12)9-15-16(13)10-5-3-2-4-6-10/h9-10,12,14H,2-8H2,1H3/t12-/m0/s1
InChIKeyXCZSRSHBKRRDFO-LBPRGKRZSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds2

About (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine

(4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine (PubChem CID 97181762) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine.

Molecular Properties

Compound Name(4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
PubChem CID97181762
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
SMILESCN[C@H]1CCc2c1cnn2C1CCCCC1
InChIInChI=1S/C13H21N3/c1-14-12-7-8-13-11(12)9-15-16(13)10-5-3-2-4-6-10/h9-10,12,14H,2-8H2,1H3/t12-/m0/s1
InChIKeyXCZSRSHBKRRDFO-LBPRGKRZSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dimethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine
CID 83861579
1-cyclohexyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356733
1-cyclopentyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384395
1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384385
N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 65356397
1-(2,4-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384264
1-cyclopentyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 105445512
1-(5-bromo-2-pyridinyl)-N-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356884
1-cyclobutyl-4,5,6,7-tetrahydroindazol-5-amine
CID 171921881
N-methyl-1-(2-nitrophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384304
1-cyclohexyl-6,6-dimethyl-4,5-dihydrocyclopenta[d]pyrazole
CID 129024686
ethyl 2-[(4R)-4-(methylamino)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 70924413

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine?
The IUPAC name of (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine (CID 97181762) is (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine.
What is the SMILES notation for (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine?
The canonical SMILES for (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine is CN[C@H]1CCc2c1cnn2C1CCCCC1.
What is the InChIKey of (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine?
The InChIKey is XCZSRSHBKRRDFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21N3/c1-14-12-7-8-13-11(12)9-15-16(13)10-5-3-2-4-6-10/h9-10,12,14H,2-8H2,1H3/t12-/m0/s1.
What are the key properties of (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine?
(4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclohexyl-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-amine is sourced from PubChem (CID 97181762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).