3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine

C16H29N3O — CID 114664853

IUPAC3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2c(OC)cnn2C(C)C)C1
InChIInChI=1S/C16H29N3O/c1-6-9-17-13-7-8-16(4,10-13)15-14(20-5)11-18-19(15)12(2)3/h11-13,17H,6-10H2,1-5H3
InChIKeyIQYDMUBADVZGQW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.28
Rot. Bonds6

About 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine

3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine (PubChem CID 114664853) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine
PubChem CID114664853
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(c2c(OC)cnn2C(C)C)C1
InChIInChI=1S/C16H29N3O/c1-6-9-17-13-7-8-16(4,10-13)15-14(20-5)11-18-19(15)12(2)3/h11-13,17H,6-10H2,1-5H3
InChIKeyIQYDMUBADVZGQW-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromo-1-methylcyclopentyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665739
N-ethyl-3-(4-methoxy-1-propylpyrazol-5-yl)-3-methylcyclopentan-1-amine
CID 114664844
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
CID 114665774
3-(4-methoxy-2,5-dimethylphenyl)-3-methyl-N-propylcyclopentan-1-amine
CID 116539814
2-ethyl-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methyloxan-4-ol
CID 114635866
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105048293
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-1-propylpiperidin-4-ol
CID 114633692
N-[2-cyclopropyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 114661336
2-tert-butyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-ol
CID 114633215
N-[4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pent-3-enyl]cyclopropanamine
CID 104940657
N-[2-cyclobutyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethyl]propan-1-amine
CID 103169666
4-hydroxy-4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexan-1-one
CID 114636426

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine (CID 114664853) is 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(c2c(OC)cnn2C(C)C)C1.
What is the InChIKey of 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine?
The InChIKey is IQYDMUBADVZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-9-17-13-7-8-16(4,10-13)15-14(20-5)11-18-19(15)12(2)3/h11-13,17H,6-10H2,1-5H3.
What are the key properties of 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine?
3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 114664853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).