N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

C10H13ClN4O — CID 115672626

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCc1nn(C)c(Cl)c1CNCc1ccon1
InChIInChI=1S/C10H13ClN4O/c1-7-9(10(11)15(2)13-7)6-12-5-8-3-4-16-14-8/h3-4,12H,5-6H2,1-2H3
InChIKeyMKURVFDDVBODKM-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.66
Rot. Bonds4

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (PubChem CID 115672626) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
PubChem CID115672626
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
SMILESCc1nn(C)c(Cl)c1CNCc1ccon1
InChIInChI=1S/C10H13ClN4O/c1-7-9(10(11)15(2)13-7)6-12-5-8-3-4-16-14-8/h3-4,12H,5-6H2,1-2H3
InChIKeyMKURVFDDVBODKM-UHFFFAOYSA-N
XLogP1.66
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 115576261
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 115576248
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170570
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376
1-(1,2-oxazol-3-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 118785680
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629590
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
CID 115656604
1-(furan-3-yl)-N-(1,2-oxazol-3-ylmethyl)methanamine
CID 79493496
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 107911776
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 115576208
2-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpentan-1-amine
CID 107155986
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 115621471

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine (CID 115672626) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is Cc1nn(C)c(Cl)c1CNCc1ccon1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
The InChIKey is MKURVFDDVBODKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-7-9(10(11)15(2)13-7)6-12-5-8-3-4-16-14-8/h3-4,12H,5-6H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine has a molecular weight of 240.69 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine is sourced from PubChem (CID 115672626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).