(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide

C15H23N5O — CID 125169618

IUPAC(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)N(C)Cc1cnn(CC)c1C)n1cccn1
InChIInChI=1S/C15H23N5O/c1-5-14(20-9-7-8-16-20)15(21)18(4)11-13-10-17-19(6-2)12(13)3/h7-10,14H,5-6,11H2,1-4H3/t14-/m1/s1
InChIKeyMUZMALMQFNGNLF-CQSZACIVSA-N
MW289.38 g/mol
LogP2.02
Rot. Bonds6

About (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide

(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide (PubChem CID 125169618) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
PubChem CID125169618
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide
SMILESCC[C@H](C(=O)N(C)Cc1cnn(CC)c1C)n1cccn1
InChIInChI=1S/C15H23N5O/c1-5-14(20-9-7-8-16-20)15(21)18(4)11-13-10-17-19(6-2)12(13)3/h7-10,14H,5-6,11H2,1-4H3/t14-/m1/s1
InChIKeyMUZMALMQFNGNLF-CQSZACIVSA-N
XLogP2.02
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide (CID 125169618) is (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide is CC[C@H](C(=O)N(C)Cc1cnn(CC)c1C)n1cccn1.
What is the InChIKey of (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide?
The InChIKey is MUZMALMQFNGNLF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N5O/c1-5-14(20-9-7-8-16-20)15(21)18(4)11-13-10-17-19(6-2)12(13)3/h7-10,14H,5-6,11H2,1-4H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide?
(2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide has a molecular weight of 289.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 125169618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).