1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine

C15H29N3O — CID 103030124

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1cnn(C)c1)COC(C)(C)C
InChIInChI=1S/C15H29N3O/c1-6-9-16-14(12-19-15(2,3)4)8-7-13-10-17-18(5)11-13/h10-11,14,16H,6-9,12H2,1-5H3
InChIKeyPZWRCIXAAFKOEJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.54
Rot. Bonds8

About 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine

1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine (PubChem CID 103030124) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
PubChem CID103030124
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCc1cnn(C)c1)COC(C)(C)C
InChIInChI=1S/C15H29N3O/c1-6-9-16-14(12-19-15(2,3)4)8-7-13-10-17-18(5)11-13/h10-11,14,16H,6-9,12H2,1-5H3
InChIKeyPZWRCIXAAFKOEJ-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]ethan-1-amine
CID 62729330
3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
rac-(2R,3S)-2-[1-(propan-2-yl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122155807
rac-(2R,3S)-2-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]oxolan-3-amine dihydrochloride
CID 122164099
1-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxa-2-azaspiro(3.5)nonane
CID 137832709
1-(1-Methyl-1h-pyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane dihydrochloride
CID 154878984
1-(1-Ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024967
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methylbutan-1-amine
CID 103024968
1-(1-ethylpyrazol-4-yl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103024969
4-methoxy-N,4-dimethyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024991
4-Methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024992
N-ethyl-4-methoxy-4-methyl-1-(1-methylpyrazol-4-yl)pentan-2-amine
CID 103024993

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine (CID 103030124) is 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine is CCCNC(CCc1cnn(C)c1)COC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
The InChIKey is PZWRCIXAAFKOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-9-16-14(12-19-15(2,3)4)8-7-13-10-17-18(5)11-13/h10-11,14,16H,6-9,12H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine?
1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 103030124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).