4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine

C16H31N3O — CID 64779388

IUPAC4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCOC)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H31N3O/c1-5-10-17-14(9-12-20-4)13-15-8-11-19(18-15)16(6-2)7-3/h8,11,14,16-17H,5-7,9-10,12-13H2,1-4H3
InChIKeyWBGURRVAKXKWCX-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.19
Rot. Bonds11

About 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine

4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine (PubChem CID 64779388) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
PubChem CID64779388
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCOC)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H31N3O/c1-5-10-17-14(9-12-20-4)13-15-8-11-19(18-15)16(6-2)7-3/h8,11,14,16-17H,5-7,9-10,12-13H2,1-4H3
InChIKeyWBGURRVAKXKWCX-UHFFFAOYSA-N
XLogP3.19
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64778111
N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65422373
3-cyclopropyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 104991853
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
1-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64784791

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine (CID 64779388) is 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine is CCCNC(CCOC)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine?
The InChIKey is WBGURRVAKXKWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-10-17-14(9-12-20-4)13-15-8-11-19(18-15)16(6-2)7-3/h8,11,14,16-17H,5-7,9-10,12-13H2,1-4H3.
What are the key properties of 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine?
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.19, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 64779388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).