(5-chloro-1-ethylpyrazol-3-yl)methanamine

C6H10ClN3 — CID 176508791

IUPAC(5-chloro-1-ethylpyrazol-3-yl)methanamine
SMILESCCn1nc(CN)cc1Cl
InChIInChI=1S/C6H10ClN3/c1-2-10-6(7)3-5(4-8)9-10/h3H,2,4,8H2,1H3
InChIKeyJRSUUTUUNWYVEG-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.02
Rot. Bonds2

About (5-chloro-1-ethylpyrazol-3-yl)methanamine

(5-chloro-1-ethylpyrazol-3-yl)methanamine (PubChem CID 176508791) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is (5-chloro-1-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-chloro-1-ethylpyrazol-3-yl)methanamine
PubChem CID176508791
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name(5-chloro-1-ethylpyrazol-3-yl)methanamine
SMILESCCn1nc(CN)cc1Cl
InChIInChI=1S/C6H10ClN3/c1-2-10-6(7)3-5(4-8)9-10/h3H,2,4,8H2,1H3
InChIKeyJRSUUTUUNWYVEG-UHFFFAOYSA-N
XLogP1.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(chloromethyl)-1-ethylpyrazole
CID 12061630
(1-ethyl-5-methylpyrazol-3-yl)methanamine
CID 23005647
2-(5-chloro-3-ethylpyrazol-1-yl)acetic acid
CID 66015514
[3-(4-chlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84746375
(1-ethyl-3-iodopyrazol-5-yl)methanamine
CID 154881848
2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine
CID 66022661
5-chloro-3-ethyl-1-(2-methylsulfonylethyl)pyrazole
CID 66015518
[1-(4-chlorophenyl)-5-ethylpyrazol-3-yl]methanamine
CID 115041268
[3-(2,4-dichlorophenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761580
4-(1,3-diethylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 81013547
5-chloro-1-ethyl-3-(4-nitrophenyl)pyrazole
CID 12061634
5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 66021366

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-ethylpyrazol-3-yl)methanamine?
The IUPAC name of (5-chloro-1-ethylpyrazol-3-yl)methanamine (CID 176508791) is (5-chloro-1-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (5-chloro-1-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for (5-chloro-1-ethylpyrazol-3-yl)methanamine is CCn1nc(CN)cc1Cl.
What is the InChIKey of (5-chloro-1-ethylpyrazol-3-yl)methanamine?
The InChIKey is JRSUUTUUNWYVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-2-10-6(7)3-5(4-8)9-10/h3H,2,4,8H2,1H3.
What are the key properties of (5-chloro-1-ethylpyrazol-3-yl)methanamine?
(5-chloro-1-ethylpyrazol-3-yl)methanamine has a molecular weight of 159.62 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 176508791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).