4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine

C11H21N3O — CID 103029606

IUPAC4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine
SMILESCC(C)OCC(N)CCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(2)15-8-11(12)5-4-10-6-13-14(3)7-10/h6-7,9,11H,4-5,8,12H2,1-3H3
InChIKeyNJQFIAMPGZWRQP-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.11
Rot. Bonds6

About 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine

4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine (PubChem CID 103029606) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine
PubChem CID103029606
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine
SMILESCC(C)OCC(N)CCc1cnn(C)c1
InChIInChI=1S/C11H21N3O/c1-9(2)15-8-11(12)5-4-10-6-13-14(3)7-10/h6-7,9,11H,4-5,8,12H2,1-3H3
InChIKeyNJQFIAMPGZWRQP-UHFFFAOYSA-N
XLogP1.11
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Furanamine, tetrahydro-2-(1-methyl-1H-pyrazol-4-yl)-, (2S,3R)-
CID 121553712
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
2-(1-methyl-1H-pyrazol-4-yl)oxan-4-amine dihydrochloride
CID 119056955
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
rac-(2R,3S)-2-(1-(cyclopropylmethyl)-1H-pyrazol-4-yl)oxolan-3-amine dihydrochloride
CID 122164221
[2-(1-methyl-1H-pyrazol-4-yl)oxolan-2-yl]methanamine
CID 132343993
1-(1-Methyl-1h-pyrazol-4-yl)-7-oxa-2-azaspiro[3.5]nonane dihydrochloride
CID 154878984
2-amino-3-(1-methyl-1H-pyrazol-4-yl)propan-1-ol
CID 55254473
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

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine (CID 103029606) is 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine is CC(C)OCC(N)CCc1cnn(C)c1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine?
The InChIKey is NJQFIAMPGZWRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)15-8-11(12)5-4-10-6-13-14(3)7-10/h6-7,9,11H,4-5,8,12H2,1-3H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine?
4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-1-propan-2-yloxybutan-2-amine is sourced from PubChem (CID 103029606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).