1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide

C19H29N7O2 — CID 52523620

IUPAC1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C19H29N7O2/c1-12-17(13(2)25(5)23-12)22-18(27)14(3)26-8-6-16(7-9-26)21-19(28)15-10-20-24(4)11-15/h10-11,14,16H,6-9H2,1-5H3,(H,21,28)(H,22,27)/t14-/m0/s1
InChIKeyMNHPURKXZOIQCN-AWEZNQCLSA-N
MW387.49 g/mol
LogP0.99
Rot. Bonds5

About 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide

1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 52523620) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID52523620
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C19H29N7O2/c1-12-17(13(2)25(5)23-12)22-18(27)14(3)26-8-6-16(7-9-26)21-19(28)15-10-20-24(4)11-15/h10-11,14,16H,6-9H2,1-5H3,(H,21,28)(H,22,27)/t14-/m0/s1
InChIKeyMNHPURKXZOIQCN-AWEZNQCLSA-N
XLogP0.99
TPSA97.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide (CID 52523620) is 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide is Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCC(NC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is MNHPURKXZOIQCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-12-17(13(2)25(5)23-12)22-18(27)14(3)26-8-6-16(7-9-26)21-19(28)15-10-20-24(4)11-15/h10-11,14,16H,6-9H2,1-5H3,(H,21,28)(H,22,27)/t14-/m0/s1.
What are the key properties of 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 52523620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).