(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide

C17H24N4O2 — CID 94821802

IUPAC(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide
SMILESCc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)C(=O)N(C)C
InChIInChI=1S/C17H24N4O2/c1-12-15(11-18-13(2)16(22)20(3)4)17(21(5)19-12)23-14-9-7-6-8-10-14/h6-10,13,18H,11H2,1-5H3/t13-/m1/s1
InChIKeyGPPQAQGPLRDMQQ-CYBMUJFWSA-N
MW316.40 g/mol
LogP2.09
Rot. Bonds6

About (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide

(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide (PubChem CID 94821802) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide
PubChem CID94821802
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide
SMILESCc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)C(=O)N(C)C
InChIInChI=1S/C17H24N4O2/c1-12-15(11-18-13(2)16(22)20(3)4)17(21(5)19-12)23-14-9-7-6-8-10-14/h6-10,13,18H,11H2,1-5H3/t13-/m1/s1
InChIKeyGPPQAQGPLRDMQQ-CYBMUJFWSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide (CID 94821802) is (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide is Cc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide?
The InChIKey is GPPQAQGPLRDMQQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-15(11-18-13(2)16(22)20(3)4)17(21(5)19-12)23-14-9-7-6-8-10-14/h6-10,13,18H,11H2,1-5H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide?
(2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 94821802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).