N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine

C12H16ClN3O — CID 61422691

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine
SMILESCc1nn(C)c(Cl)c1CN(C)Cc1ccoc1
InChIInChI=1S/C12H16ClN3O/c1-9-11(12(13)16(3)14-9)7-15(2)6-10-4-5-17-8-10/h4-5,8H,6-7H2,1-3H3
InChIKeyDAIHHAGYEZZELG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.61
Rot. Bonds4

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine (PubChem CID 61422691) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine
PubChem CID61422691
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine
SMILESCc1nn(C)c(Cl)c1CN(C)Cc1ccoc1
InChIInChI=1S/C12H16ClN3O/c1-9-11(12(13)16(3)14-9)7-15(2)6-10-4-5-17-8-10/h4-5,8H,6-7H2,1-3H3
InChIKeyDAIHHAGYEZZELG-UHFFFAOYSA-N
XLogP2.61
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[furan-3-ylmethyl(methyl)amino]methyl]-N,1,3-trimethylpyrazol-5-amine
CID 62207198
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 61413584
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 60711401
N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 61422601
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propan-2-ol
CID 62334987
N-(furan-3-ylmethyl)-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 61422603
N-butyl-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 60795956
5-bromo-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpentan-1-amine
CID 107204911
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-methylacetamide
CID 60796591
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 62027451
methyl 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 62013204
1-(furan-3-yl)-N-methyl-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]methanamine
CID 91772179

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine (CID 61422691) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine is Cc1nn(C)c(Cl)c1CN(C)Cc1ccoc1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine?
The InChIKey is DAIHHAGYEZZELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-9-11(12(13)16(3)14-9)7-15(2)6-10-4-5-17-8-10/h4-5,8H,6-7H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine has a molecular weight of 253.73 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(furan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 61422691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).