1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine

C14H27N3 — CID 64771198

IUPAC1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H27N3/c1-5-7-13(15-9-6-2)11-14-8-10-17(16-14)12(3)4/h8,10,12-13,15H,5-7,9,11H2,1-4H3
InChIKeyRIIYMJVXGREQEF-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.17
Rot. Bonds8

About 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine

1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine (PubChem CID 64771198) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
PubChem CID64771198
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCC)Cc1ccn(C(C)C)n1
InChIInChI=1S/C14H27N3/c1-5-7-13(15-9-6-2)11-14-8-10-17(16-14)12(3)4/h8,10,12-13,15H,5-7,9,11H2,1-4H3
InChIKeyRIIYMJVXGREQEF-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
1-(1-propan-2-ylpyrazol-3-yl)-3-propoxy-N-propylpropan-2-amine
CID 64771213
N-ethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154886
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222
N-ethyl-5,5,5-trifluoro-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 79953927
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
N-[2-(1-propan-2-ylpyrazol-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethyl]propan-1-amine
CID 104990204
4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
3-methoxy-4-methyl-1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116720670
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The IUPAC name of 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine (CID 64771198) is 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The canonical SMILES for 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine is CCCNC(CCC)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
The InChIKey is RIIYMJVXGREQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-7-13(15-9-6-2)11-14-8-10-17(16-14)12(3)4/h8,10,12-13,15H,5-7,9,11H2,1-4H3.
What are the key properties of 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine?
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 64771198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).