4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine

C18H35N3 — CID 104991789

IUPAC4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccn(C(CC)CC)n1)CC(C)CC
InChIInChI=1S/C18H35N3/c1-6-11-19-17(13-15(5)7-2)14-16-10-12-21(20-16)18(8-3)9-4/h10,12,15,17-19H,6-9,11,13-14H2,1-5H3
InChIKeyARMSXNQCGYGRMP-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.59
Rot. Bonds11

About 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine

4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine (PubChem CID 104991789) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
PubChem CID104991789
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
SMILESCCCNC(Cc1ccn(C(CC)CC)n1)CC(C)CC
InChIInChI=1S/C18H35N3/c1-6-11-19-17(13-15(5)7-2)14-16-10-12-21(20-16)18(8-3)9-4/h10,12,15,17-19H,6-9,11,13-14H2,1-5H3
InChIKeyARMSXNQCGYGRMP-UHFFFAOYSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
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,4,5,5-tetramethyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
CID 104991826
3-cyclopropyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 104991853
4-methyl-N-propyl-1-pyridin-2-ylhexan-2-amine
CID 62600384
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65422373

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine?
The IUPAC name of 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine (CID 104991789) is 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine?
The canonical SMILES for 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine is CCCNC(Cc1ccn(C(CC)CC)n1)CC(C)CC.
What is the InChIKey of 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine?
The InChIKey is ARMSXNQCGYGRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-6-11-19-17(13-15(5)7-2)14-16-10-12-21(20-16)18(8-3)9-4/h10,12,15,17-19H,6-9,11,13-14H2,1-5H3.
What are the key properties of 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine?
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.59, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 104991789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).