N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine

C12H21N3O — CID 115920722

IUPACN-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCOCCn1ccc(NC(C)CC2CC2)n1
InChIInChI=1S/C12H21N3O/c1-10(9-11-3-4-11)13-12-5-6-15(14-12)7-8-16-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyBBHQLXGVKMSZOZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.13
Rot. Bonds7

About N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine

N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine (PubChem CID 115920722) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine
PubChem CID115920722
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine
SMILESCOCCn1ccc(NC(C)CC2CC2)n1
InChIInChI=1S/C12H21N3O/c1-10(9-11-3-4-11)13-12-5-6-15(14-12)7-8-16-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14)
InChIKeyBBHQLXGVKMSZOZ-UHFFFAOYSA-N
XLogP2.13
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine (CID 115920722) is N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine is COCCn1ccc(NC(C)CC2CC2)n1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine?
The InChIKey is BBHQLXGVKMSZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(9-11-3-4-11)13-12-5-6-15(14-12)7-8-16-2/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,13,14).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine?
N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine has a molecular weight of 223.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-(2-methoxyethyl)pyrazol-3-amine is sourced from PubChem (CID 115920722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).