2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine

C15H27N3O — CID 103140617

IUPAC2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1c(CNCC(C)C)cnn1CC1CCC(C)O1
InChIInChI=1S/C15H27N3O/c1-11(2)7-16-8-14-9-17-18(13(14)4)10-15-6-5-12(3)19-15/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyPAYNTWNEPXDZPV-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.50
Rot. Bonds6

About 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 103140617) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
PubChem CID103140617
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1c(CNCC(C)C)cnn1CC1CCC(C)O1
InChIInChI=1S/C15H27N3O/c1-11(2)7-16-8-14-9-17-18(13(14)4)10-15-6-5-12(3)19-15/h9,11-12,15-16H,5-8,10H2,1-4H3
InChIKeyPAYNTWNEPXDZPV-UHFFFAOYSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 103140614
N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82925221
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
2-methyl-N-[[5-[(5-methyloxolan-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 103133309
N-[[5-cyclopropyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442018
N-[[3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 103136272
N-[[1-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrazol-4-yl]methyl]ethanamine
CID 114225272
N-[[2-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 114196061
N-[[5-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 66393303
N-[[1-[(3-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 102861828
2-methyl-N-[[5-[(3,4,5-trimethylpyrazol-1-yl)methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62443116
4-(1-chloroethyl)-3,5-dimethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazole
CID 103139492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (CID 103140617) is 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is Cc1c(CNCC(C)C)cnn1CC1CCC(C)O1.
What is the InChIKey of 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is PAYNTWNEPXDZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)7-16-8-14-9-17-18(13(14)4)10-15-6-5-12(3)19-15/h9,11-12,15-16H,5-8,10H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-methyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 103140617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).