4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine

C20H25FN4 — CID 165389412

IUPAC4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine
SMILESCn1nc([C@H]2CCN(c3ccc(F)cc3)C2)c(C2=CCCCC2)c1N
InChIInChI=1S/C20H25FN4/c1-24-20(22)18(14-5-3-2-4-6-14)19(23-24)15-11-12-25(13-15)17-9-7-16(21)8-10-17/h5,7-10,15H,2-4,6,11-13,22H2,1H3/t15-/m0/s1
InChIKeyYDQOTLCEUDSYAD-HNNXBMFYSA-N
MW340.45 g/mol
LogP4.09
Rot. Bonds3

About 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine

4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine (PubChem CID 165389412) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine
PubChem CID165389412
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine
SMILESCn1nc([C@H]2CCN(c3ccc(F)cc3)C2)c(C2=CCCCC2)c1N
InChIInChI=1S/C20H25FN4/c1-24-20(22)18(14-5-3-2-4-6-14)19(23-24)15-11-12-25(13-15)17-9-7-16(21)8-10-17/h5,7-10,15H,2-4,6,11-13,22H2,1H3/t15-/m0/s1
InChIKeyYDQOTLCEUDSYAD-HNNXBMFYSA-N
XLogP4.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-methyl-1H-pyrazol-5-amine
CID 769146
1-Methyl-3-phenyl-1H-pyrazol-5-amine
CID 517779
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
1-benzyl-3-phenyl-1H-pyrazol-5-amine
CID 684746
1,3-Dimethyl-4-phenyl-1H-pyrazol-5-amine
CID 1502824
3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-5-amine
CID 6483872
1-Methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 2740916
1-(2-Benzyl-5-methylpyrazol-3-yl)-3-(3,4-difluorophenyl)urea
CID 48750778
3-[[3-(2-Fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]aniline
CID 155591398
1-(cyclohexylmethyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 869112
4-[(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine
CID 4121801
4-[(5-Amino-3-methyl-1-phenylpyrazol-4-yl)-phenylmethyl]-3-methyl-1-phenylpyrazol-5-amine
CID 4447969

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine (CID 165389412) is 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine is Cn1nc([C@H]2CCN(c3ccc(F)cc3)C2)c(C2=CCCCC2)c1N.
What is the InChIKey of 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine?
The InChIKey is YDQOTLCEUDSYAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25FN4/c1-24-20(22)18(14-5-3-2-4-6-14)19(23-24)15-11-12-25(13-15)17-9-7-16(21)8-10-17/h5,7-10,15H,2-4,6,11-13,22H2,1H3/t15-/m0/s1.
What are the key properties of 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine?
4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine has a molecular weight of 340.45 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexen-1-yl)-3-[(3S)-1-(4-fluorophenyl)pyrrolidin-3-yl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 165389412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).