(2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C20H26N6O — CID 41094888

IUPAC(2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H26N6O/c1-14-19(15(2)25(5)23-14)22-20(27)16(3)24(4)12-17-11-21-26(13-17)18-9-7-6-8-10-18/h6-11,13,16H,12H2,1-5H3,(H,22,27)/t16-/m1/s1
InChIKeyDSWHEXLZRMZUDB-MRXNPFEDSA-N
MW366.47 g/mol
LogP2.68
Rot. Bonds6

About (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 41094888) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID41094888
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name(2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H26N6O/c1-14-19(15(2)25(5)23-14)22-20(27)16(3)24(4)12-17-11-21-26(13-17)18-9-7-6-8-10-18/h6-11,13,16H,12H2,1-5H3,(H,22,27)/t16-/m1/s1
InChIKeyDSWHEXLZRMZUDB-MRXNPFEDSA-N
XLogP2.68
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 41094888) is (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N(C)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is DSWHEXLZRMZUDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N6O/c1-14-19(15(2)25(5)23-14)22-20(27)16(3)24(4)12-17-11-21-26(13-17)18-9-7-6-8-10-18/h6-11,13,16H,12H2,1-5H3,(H,22,27)/t16-/m1/s1.
What are the key properties of (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 41094888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).