4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine

C9H18N4 — CID 115069513

IUPAC4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1ncc(CCCN)c1N
InChIInChI=1S/C9H18N4/c1-7(2)13-9(11)8(6-12-13)4-3-5-10/h6-7H,3-5,10-11H2,1-2H3
InChIKeyGNSZQVGHSRCLRO-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.94
Rot. Bonds4

About 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine

4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine (PubChem CID 115069513) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine
PubChem CID115069513
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine
SMILESCC(C)n1ncc(CCCN)c1N
InChIInChI=1S/C9H18N4/c1-7(2)13-9(11)8(6-12-13)4-3-5-10/h6-7H,3-5,10-11H2,1-2H3
InChIKeyGNSZQVGHSRCLRO-UHFFFAOYSA-N
XLogP0.94
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(1-methyl-piperidin-4-yl)-2H-pyrazol-3-ylamine
CID 645994
1-Cyclopentyl-4-methyl-1H-pyrazol-5-amine
CID 28063967
4-ethyl-1-isopropyl-1H-pyrazol-5-amine
CID 126480383
1-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-b)pyridine
CID 135966088
1-methyl-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 84107341
1-cyclopropyl-4-ethyl-1H-pyrazol-5-amine
CID 126480384
1-(1-ethyl-1H-pyrazol-4-yl)propan-1-amine
CID 23005819
1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 80695477
N-ethyl-1-[1-(2-fluoroethyl)pyrazol-4-yl]propan-1-amine
CID 80695640
1-[1-(2-fluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 80695641
1-[1-(3-fluoropropyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 81112978
N-ethyl-1-[1-(3-fluoropropyl)pyrazol-4-yl]propan-1-amine
CID 81113093

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine (CID 115069513) is 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine is CC(C)n1ncc(CCCN)c1N.
What is the InChIKey of 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine?
The InChIKey is GNSZQVGHSRCLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-7(2)13-9(11)8(6-12-13)4-3-5-10/h6-7H,3-5,10-11H2,1-2H3.
What are the key properties of 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine?
4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine has a molecular weight of 182.27 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-1-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 115069513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).