1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride

C8H17Cl2N3 — CID 90482919

IUPAC1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride
SMILESCCCn1cc(C(C)N)cn1.Cl.Cl
InChIInChI=1S/C8H15N3.2ClH/c1-3-4-11-6-8(5-10-11)7(2)9;;/h5-7H,3-4,9H2,1-2H3;2*1H
InChIKeyVIDVLFLSURFALX-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.16
Rot. Bonds3

About 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride

1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride (PubChem CID 90482919) has the molecular formula C8H17Cl2N3 and a molecular weight of 226.15 g/mol. Its IUPAC name is 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride
PubChem CID90482919
Molecular FormulaC8H17Cl2N3
Molecular Weight226.15 g/mol
Exact Mass225.08
IUPAC Name1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride
SMILESCCCn1cc(C(C)N)cn1.Cl.Cl
InChIInChI=1S/C8H15N3.2ClH/c1-3-4-11-6-8(5-10-11)7(2)9;;/h5-7H,3-4,9H2,1-2H3;2*1H
InChIKeyVIDVLFLSURFALX-UHFFFAOYSA-N
XLogP2.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
1-(1-methyl-1H-pyrazol-4-yl)ethane-1,2-diamine
CID 43519509
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylamine
CID 578961
rac-(1R,2S)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride
CID 91647633
ethyl[(1-ethyl-1H-pyrazol-4-yl)methyl]amine
CID 16394860
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
1-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]ethan-1-amine
CID 62729330
3-(4-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4715092
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221
((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride (CID 90482919) is 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride is CCCn1cc(C(C)N)cn1.Cl.Cl.
What is the InChIKey of 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is VIDVLFLSURFALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.2ClH/c1-3-4-11-6-8(5-10-11)7(2)9;;/h5-7H,3-4,9H2,1-2H3;2*1H.
What are the key properties of 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride?
1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 226.15 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 90482919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).