1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine

C13H18ClN3O2 — CID 105189988

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine
SMILESCOCCn1ncc(Cl)c1C(N)CCc1ccco1
InChIInChI=1S/C13H18ClN3O2/c1-18-8-6-17-13(11(14)9-16-17)12(15)5-4-10-3-2-7-19-10/h2-3,7,9,12H,4-6,8,15H2,1H3
InChIKeyYBNGRZAOYOBHKN-UHFFFAOYSA-N
MW283.76 g/mol
LogP2.41
Rot. Bonds7

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine (PubChem CID 105189988) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine
PubChem CID105189988
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine
SMILESCOCCn1ncc(Cl)c1C(N)CCc1ccco1
InChIInChI=1S/C13H18ClN3O2/c1-18-8-6-17-13(11(14)9-16-17)12(15)5-4-10-3-2-7-19-10/h2-3,7,9,12H,4-6,8,15H2,1H3
InChIKeyYBNGRZAOYOBHKN-UHFFFAOYSA-N
XLogP2.41
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-amine
CID 105054591
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(furan-2-yl)propan-1-amine
CID 105182777
2-(2-bromophenyl)-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]ethanamine
CID 114650067
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(4-fluorophenyl)ethanamine
CID 114646675
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2-fluorophenyl)sulfanylethanamine
CID 114656047
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methylpentyl]hydrazine
CID 105342381
1-(4-chloro-1-propylpyrazol-5-yl)-2-methoxyethanamine
CID 114648638
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538
[1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-difluoroethyl]hydrazine
CID 105265036

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine (CID 105189988) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine is COCCn1ncc(Cl)c1C(N)CCc1ccco1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine?
The InChIKey is YBNGRZAOYOBHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-18-8-6-17-13(11(14)9-16-17)12(15)5-4-10-3-2-7-19-10/h2-3,7,9,12H,4-6,8,15H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine has a molecular weight of 283.76 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 105189988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).