3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine

C13H23N3 — CID 105478364

IUPAC3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine
SMILESCC(C)(C)n1ncc(CCCN)c1C1CC1
InChIInChI=1S/C13H23N3/c1-13(2,3)16-12(10-6-7-10)11(9-15-16)5-4-8-14/h9-10H,4-8,14H2,1-3H3
InChIKeyPWRHIZMRIYEEOH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.41
Rot. Bonds4

About 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine

3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine (PubChem CID 105478364) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine
PubChem CID105478364
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine
SMILESCC(C)(C)n1ncc(CCCN)c1C1CC1
InChIInChI=1S/C13H23N3/c1-13(2,3)16-12(10-6-7-10)11(9-15-16)5-4-8-14/h9-10H,4-8,14H2,1-3H3
InChIKeyPWRHIZMRIYEEOH-UHFFFAOYSA-N
XLogP2.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)ethanamine
CID 105461090
2-(5-cyclopropyl-1-methylpyrazol-4-yl)ethanamine
CID 83826863
3-(5-tert-butyl-1-methylpyrazol-4-yl)propan-1-amine
CID 83879605
3-(3-cyclopropyl-1-ethylpyrazol-4-yl)propan-1-amine
CID 112712761
3-(1-cyclopropyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115068977
3-(5-bromo-1-cyclopentylpyrazol-4-yl)propan-1-amine
CID 115050624
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 115021879
3-[5-chloro-1-(2,2-dimethylpropyl)pyrazol-4-yl]propan-1-amine
CID 115068517
(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
CID 171340448
3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115068985
(5-bromo-1-tert-butylpyrazol-4-yl)methanol
CID 67491360
4-(aminomethyl)-1-tert-butylpyrazol-5-amine
CID 115069508

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine (CID 105478364) is 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine is CC(C)(C)n1ncc(CCCN)c1C1CC1.
What is the InChIKey of 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine?
The InChIKey is PWRHIZMRIYEEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)16-12(10-6-7-10)11(9-15-16)5-4-8-14/h9-10H,4-8,14H2,1-3H3.
What are the key properties of 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine?
3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-5-cyclopropylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105478364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).