N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine

C15H27N3O — CID 103034945

IUPACN-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCOC(C)(C)CCn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C15H27N3O/c1-11-14(10-16-13-6-7-13)12(2)18(17-11)9-8-15(3,4)19-5/h13,16H,6-10H2,1-5H3
InChIKeyPCEDGEABEGQWIS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.57
Rot. Bonds7

About N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 103034945) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID103034945
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCOC(C)(C)CCn1nc(C)c(CNC2CC2)c1C
InChIInChI=1S/C15H27N3O/c1-11-14(10-16-13-6-7-13)12(2)18(17-11)9-8-15(3,4)19-5/h13,16H,6-10H2,1-5H3
InChIKeyPCEDGEABEGQWIS-UHFFFAOYSA-N
XLogP2.57
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine (CID 103034945) is N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine is COC(C)(C)CCn1nc(C)c(CNC2CC2)c1C.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is PCEDGEABEGQWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-14(10-16-13-6-7-13)12(2)18(17-11)9-8-15(3,4)19-5/h13,16H,6-10H2,1-5H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 265.40 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103034945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).