(1-ethyl-5-methylpyrazol-3-yl)methanamine

C7H13N3 — CID 23005647

IUPAC(1-ethyl-5-methylpyrazol-3-yl)methanamine
SMILESCCn1nc(CN)cc1C
InChIInChI=1S/C7H13N3/c1-3-10-6(2)4-7(5-8)9-10/h4H,3,5,8H2,1-2H3
InChIKeyHAVSKTIFTBRVQO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.67
Rot. Bonds2

About (1-ethyl-5-methylpyrazol-3-yl)methanamine

(1-ethyl-5-methylpyrazol-3-yl)methanamine (PubChem CID 23005647) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (1-ethyl-5-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-5-methylpyrazol-3-yl)methanamine
PubChem CID23005647
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(1-ethyl-5-methylpyrazol-3-yl)methanamine
SMILESCCn1nc(CN)cc1C
InChIInChI=1S/C7H13N3/c1-3-10-6(2)4-7(5-8)9-10/h4H,3,5,8H2,1-2H3
InChIKeyHAVSKTIFTBRVQO-UHFFFAOYSA-N
XLogP0.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3,5-dimethylpyrazole
CID 565993
(5-chloro-1-ethylpyrazol-3-yl)methanamine
CID 176508791
(1,5-dimethylpyrazol-3-yl)methanamine;hydrochloride
CID 45157159
2-amino-3-(1-ethyl-5-methylpyrazol-3-yl)propanoic acid
CID 19620649
ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
CID 169218141
1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide
CID 90975733
(1-ethyl-3-iodopyrazol-5-yl)methanamine
CID 154881848
1-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 58497357
4-[3-(aminomethyl)-5-methylpyrazol-1-yl]phenol
CID 115022979
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
CID 83635686
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
(2-ethyl-6-methylpyrimidin-4-yl)methanamine
CID 62743734

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)methanamine?
The IUPAC name of (1-ethyl-5-methylpyrazol-3-yl)methanamine (CID 23005647) is (1-ethyl-5-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (1-ethyl-5-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (1-ethyl-5-methylpyrazol-3-yl)methanamine is CCn1nc(CN)cc1C.
What is the InChIKey of (1-ethyl-5-methylpyrazol-3-yl)methanamine?
The InChIKey is HAVSKTIFTBRVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-10-6(2)4-7(5-8)9-10/h4H,3,5,8H2,1-2H3.
What are the key properties of (1-ethyl-5-methylpyrazol-3-yl)methanamine?
(1-ethyl-5-methylpyrazol-3-yl)methanamine has a molecular weight of 139.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-5-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 23005647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).