N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine

C20H28FN5 — CID 139801544

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc(NCCN2CCN(c3ccc(F)cc3)CC2)c2c1CCCC2
InChIInChI=1S/C20H28FN5/c1-24-19-5-3-2-4-18(19)20(23-24)22-10-11-25-12-14-26(15-13-25)17-8-6-16(21)7-9-17/h6-9H,2-5,10-15H2,1H3,(H,22,23)
InChIKeyPZZVZFCNLUAJFI-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.67
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine (PubChem CID 139801544) has the molecular formula C20H28FN5 and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
PubChem CID139801544
Molecular FormulaC20H28FN5
Molecular Weight357.48 g/mol
Exact Mass357.23
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine
SMILESCn1nc(NCCN2CCN(c3ccc(F)cc3)CC2)c2c1CCCC2
InChIInChI=1S/C20H28FN5/c1-24-19-5-3-2-4-18(19)20(23-24)22-10-11-25-12-14-26(15-13-25)17-8-6-16(21)7-9-17/h6-9H,2-5,10-15H2,1H3,(H,22,23)
InChIKeyPZZVZFCNLUAJFI-UHFFFAOYSA-N
XLogP2.67
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydroquinolin-4-amine
CID 139801667
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389026
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072655
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
(2R)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-pyrrol-1-ylpropanamide
CID 97064291
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4,5,6,7-tetrahydro-1H-indole
CID 21258053
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 139680137
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10786275
4-[3-[4-(4-fluorophenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
CID 19817590

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine (CID 139801544) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine is Cn1nc(NCCN2CCN(c3ccc(F)cc3)CC2)c2c1CCCC2.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine?
The InChIKey is PZZVZFCNLUAJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5/c1-24-19-5-3-2-4-18(19)20(23-24)22-10-11-25-12-14-26(15-13-25)17-8-6-16(21)7-9-17/h6-9H,2-5,10-15H2,1H3,(H,22,23).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine has a molecular weight of 357.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-3-amine is sourced from PubChem (CID 139801544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).