N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide

C14H24N4O — CID 122132066

IUPACN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NC[C@@H]2CC[C@H](C)N2C)n1
InChIInChI=1S/C14H24N4O/c1-10(2)18-8-7-13(16-18)14(19)15-9-12-6-5-11(3)17(12)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,15,19)/t11-,12-/m0/s1
InChIKeyBPZSQYAIWVTMBL-RYUDHWBXSA-N
MW264.37 g/mol
LogP1.68
Rot. Bonds4

About N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 122132066) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID122132066
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)NC[C@@H]2CC[C@H](C)N2C)n1
InChIInChI=1S/C14H24N4O/c1-10(2)18-8-7-13(16-18)14(19)15-9-12-6-5-11(3)17(12)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,15,19)/t11-,12-/m0/s1
InChIKeyBPZSQYAIWVTMBL-RYUDHWBXSA-N
XLogP1.68
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 122132066) is N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)NC[C@@H]2CC[C@H](C)N2C)n1.
What is the InChIKey of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is BPZSQYAIWVTMBL-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)18-8-7-13(16-18)14(19)15-9-12-6-5-11(3)17(12)4/h7-8,10-12H,5-6,9H2,1-4H3,(H,15,19)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 122132066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).