N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine

C12H23N3O — CID 115927827

IUPACN-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine
SMILESCCC(COC)Nc1ccnn1CC(C)C
InChIInChI=1S/C12H23N3O/c1-5-11(9-16-4)14-12-6-7-13-15(12)8-10(2)3/h6-7,10-11,14H,5,8-9H2,1-4H3
InChIKeyDZDLWXNYDASGGH-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.38
Rot. Bonds7

About N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine

N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine (PubChem CID 115927827) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine
PubChem CID115927827
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine
SMILESCCC(COC)Nc1ccnn1CC(C)C
InChIInChI=1S/C12H23N3O/c1-5-11(9-16-4)14-12-6-7-13-15(12)8-10(2)3/h6-7,10-11,14H,5,8-9H2,1-4H3
InChIKeyDZDLWXNYDASGGH-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylpentan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine
CID 115927824
N-(1-methoxyhexan-2-yl)-2-methylpyrazol-3-amine
CID 115921274
N-(1-ethoxypropan-2-yl)-2-propylpyrazol-3-amine
CID 115926039
1-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-2-amine
CID 106757835
N-(5-methylhexan-2-yl)-2-propylpyrazol-3-amine
CID 115926056
2-(cyclopropylmethyl)-N-(1-ethoxypropan-2-yl)pyrazol-3-amine
CID 115921784
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167409
3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
CID 102984478
N-[2-(2-methylpropyl)pyrazol-3-yl]-3,4-dipropoxybenzamide
CID 134014296
2-(4-fluorophenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026082
5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369448
N-butan-2-yl-2-(cyclopropylmethyl)pyrazol-3-amine
CID 115921786

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine (CID 115927827) is N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine is CCC(COC)Nc1ccnn1CC(C)C.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine?
The InChIKey is DZDLWXNYDASGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-11(9-16-4)14-12-6-7-13-15(12)8-10(2)3/h6-7,10-11,14H,5,8-9H2,1-4H3.
What are the key properties of N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine?
N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine has a molecular weight of 225.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-(2-methylpropyl)pyrazol-3-amine is sourced from PubChem (CID 115927827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).