1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine

C11H14ClN3O — CID 114649702

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCCn1ncc(Cl)c1C(NC)c1ccco1
InChIInChI=1S/C11H14ClN3O/c1-3-15-11(8(12)7-14-15)10(13-2)9-5-4-6-16-9/h4-7,10,13H,3H2,1-2H3
InChIKeyRMKIAPOVXUSZIA-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.46
Rot. Bonds4

About 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 114649702) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID114649702
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCCn1ncc(Cl)c1C(NC)c1ccco1
InChIInChI=1S/C11H14ClN3O/c1-3-15-11(8(12)7-14-15)10(13-2)9-5-4-6-16-9/h4-7,10,13H,3H2,1-2H3
InChIKeyRMKIAPOVXUSZIA-UHFFFAOYSA-N
XLogP2.46
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649703
1-(2-bromofuran-3-yl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 106858624
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 114646347
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105040481
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 114660043
1-(3-bromo-2-chlorophenyl)-1-(4-chloro-1-ethylpyrazol-5-yl)-N-methylmethanamine
CID 105040798
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-iodophenyl)-N-methylmethanamine
CID 105040827
[(4-chloro-1-ethylpyrazol-5-yl)-phenylmethyl]hydrazine
CID 105199252
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]propan-1-amine
CID 106693110
1-(4-chloro-1-ethylpyrazol-5-yl)-N,2,3-trimethylbutan-1-amine
CID 105040619
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3,5-dimethoxyphenyl)-N-methylmethanamine
CID 105040778
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 114659063

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine (CID 114649702) is 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine is CCn1ncc(Cl)c1C(NC)c1ccco1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is RMKIAPOVXUSZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-3-15-11(8(12)7-14-15)10(13-2)9-5-4-6-16-9/h4-7,10,13H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 239.71 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114649702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).