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

C12H16ClN3O — CID 114649703

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)c1ccco1
InChIInChI=1S/C12H16ClN3O/c1-3-6-16-12(9(13)8-15-16)11(14-2)10-5-4-7-17-10/h4-5,7-8,11,14H,3,6H2,1-2H3
InChIKeyNUWXCLGQZGFWIC-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.85
Rot. Bonds5

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

1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine (PubChem CID 114649703) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
PubChem CID114649703
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
SMILESCCCn1ncc(Cl)c1C(NC)c1ccco1
InChIInChI=1S/C12H16ClN3O/c1-3-6-16-12(9(13)8-15-16)11(14-2)10-5-4-7-17-10/h4-5,7-8,11,14H,3,6H2,1-2H3
InChIKeyNUWXCLGQZGFWIC-UHFFFAOYSA-N
XLogP2.85
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 114649702
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114660695
1-(3-bromo-2-pyridinyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660548
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(1,3-thiazol-5-yl)methanamine
CID 114658603
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848796
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105184016
1-(1-benzothiophen-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042658
1-(4-chloro-1-propylpyrazol-5-yl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 105042630
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 105042480
1-(4-chloro-1-propylpyrazol-5-yl)-N-methyl-2-propylpentan-1-amine
CID 105042462
1-(4-chloro-1-propylpyrazol-5-yl)-N,2-dimethylbutan-1-amine
CID 114651693
1-(3-chloro-4-iodophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 103216306

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine (CID 114649703) is 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine is CCCn1ncc(Cl)c1C(NC)c1ccco1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is NUWXCLGQZGFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-3-6-16-12(9(13)8-15-16)11(14-2)10-5-4-7-17-10/h4-5,7-8,11,14H,3,6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine?
1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 253.73 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 114649703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).