1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine

C14H27N3 — CID 64777620

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

About 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine

1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine (PubChem CID 64777620) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
PubChem CID64777620
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C14H27N3/c1-5-9-15-12(4)11-13-8-10-17(16-13)14(6-2)7-3/h8,10,12,14-15H,5-7,9,11H2,1-4H3
InChIKeyLETPZQRKMPOEKP-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

Analyze 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylhexan-2-amine
CID 104991789
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
3-cyclopropyl-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 104991853
3-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 116716177
4-methoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779388
N-[1-(2-methylcyclopropyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 65422373
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-methyl-N-(2-methylpropyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-1-amine
CID 64777112
1-(1-butan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778795
1-(1-butan-2-ylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777222

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine (CID 64777620) is 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine is CCCNC(C)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine?
The InChIKey is LETPZQRKMPOEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-9-15-12(4)11-13-8-10-17(16-13)14(6-2)7-3/h8,10,12,14-15H,5-7,9,11H2,1-4H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine?
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-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-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 64777620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).