1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine

C16H31N3 — CID 64783240

IUPAC1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)CCc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H31N3/c1-5-12-17-14(6-2)9-10-15-11-13-19(18-15)16(7-3)8-4/h11,13-14,16-17H,5-10,12H2,1-4H3
InChIKeyMXTQZNWQHVSOSM-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.95
Rot. Bonds10

About 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine

1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine (PubChem CID 64783240) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
PubChem CID64783240
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)CCc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H31N3/c1-5-12-17-14(6-2)9-10-15-11-13-19(18-15)16(7-3)8-4/h11,13-14,16-17H,5-10,12H2,1-4H3
InChIKeyMXTQZNWQHVSOSM-UHFFFAOYSA-N
XLogP3.95
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
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-methoxy-N-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 64784791
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
N-ethyl-2-methyl-4-(1-pentan-3-ylpyrazol-3-yl)butan-1-amine
CID 64777207
3-(1-pentan-3-ylpyrazol-3-yl)propan-1-ol
CID 64778701
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]octan-4-amine
CID 106024325
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine (CID 64783240) is 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine is CCCNC(CC)CCc1ccn(C(CC)CC)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine?
The InChIKey is MXTQZNWQHVSOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-5-12-17-14(6-2)9-10-15-11-13-19(18-15)16(7-3)8-4/h11,13-14,16-17H,5-10,12H2,1-4H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine?
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine has a molecular weight of 265.44 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 64783240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).