1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine

C17H29N3 — CID 43435437

IUPAC1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCC1CCC(NC2CCCc3c2cnn3C)CC1
InChIInChI=1S/C17H29N3/c1-3-5-13-8-10-14(11-9-13)19-16-6-4-7-17-15(16)12-18-20(17)2/h12-14,16,19H,3-11H2,1-2H3
InChIKeyDQFZFRUEOULVPF-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.75
Rot. Bonds4

About 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine

1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43435437) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43435437
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCC1CCC(NC2CCCc3c2cnn3C)CC1
InChIInChI=1S/C17H29N3/c1-3-5-13-8-10-14(11-9-13)19-16-6-4-7-17-15(16)12-18-20(17)2/h12-14,16,19H,3-11H2,1-2H3
InChIKeyDQFZFRUEOULVPF-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[4-(trifluoromethyl)cyclohexyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 43730478
N-(3-ethoxycyclobutyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 112553059
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-(3-methoxycyclopentyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103082859
1-methyl-N-(3-methylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43317523
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727362
N-(1,5-dimethylpyrrolidin-3-yl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 81297409
3-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]cyclohexan-1-ol
CID 43751424
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43727357
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
1-methyl-N-(2-methylthian-3-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 79957211
(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
CID 104980497

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 43435437) is 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine is CCCC1CCC(NC2CCCc3c2cnn3C)CC1.
What is the InChIKey of 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is DQFZFRUEOULVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-5-13-8-10-14(11-9-13)19-16-6-4-7-17-15(16)12-18-20(17)2/h12-14,16,19H,3-11H2,1-2H3.
What are the key properties of 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 275.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43435437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).