4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine

C15H28N4O — CID 81056843

IUPAC4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CCOC(C)C)c1CNC1CC1
InChIInChI=1S/C15H28N4O/c1-11(2)20-9-8-18(4)15-14(10-16-13-6-7-13)12(3)17-19(15)5/h11,13,16H,6-10H2,1-5H3
InChIKeyMNTOHTGEMFZLJS-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.84
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine

4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine (PubChem CID 81056843) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine
PubChem CID81056843
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine
SMILESCc1nn(C)c(N(C)CCOC(C)C)c1CNC1CC1
InChIInChI=1S/C15H28N4O/c1-11(2)20-9-8-18(4)15-14(10-16-13-6-7-13)12(3)17-19(15)5/h11,13,16H,6-10H2,1-5H3
InChIKeyMNTOHTGEMFZLJS-UHFFFAOYSA-N
XLogP1.84
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine (CID 81056843) is 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine is Cc1nn(C)c(N(C)CCOC(C)C)c1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine?
The InChIKey is MNTOHTGEMFZLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)20-9-8-18(4)15-14(10-16-13-6-7-13)12(3)17-19(15)5/h11,13,16H,6-10H2,1-5H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine?
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine has a molecular weight of 280.42 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine is sourced from PubChem (CID 81056843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).