4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine

C15H22N4O — CID 43527108

IUPAC4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2ccco2)c1CNC1CC1
InChIInChI=1S/C15H22N4O/c1-11-14(9-16-12-6-7-12)15(19(3)17-11)18(2)10-13-5-4-8-20-13/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyTUWZMMNEPYEERR-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.21
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine

4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine (PubChem CID 43527108) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine
PubChem CID43527108
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)Cc2ccco2)c1CNC1CC1
InChIInChI=1S/C15H22N4O/c1-11-14(9-16-12-6-7-12)15(19(3)17-11)18(2)10-13-5-4-8-20-13/h4-5,8,12,16H,6-7,9-10H2,1-3H3
InChIKeyTUWZMMNEPYEERR-UHFFFAOYSA-N
XLogP2.21
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.21
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-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine (CID 43527108) is 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)Cc2ccco2)c1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is TUWZMMNEPYEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-14(9-16-12-6-7-12)15(19(3)17-11)18(2)10-13-5-4-8-20-13/h4-5,8,12,16H,6-7,9-10H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine?
4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 274.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 43527108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).