N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide

C15H20N6O2 — CID 95107830

IUPACN-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCOc1nccnc1N1CC[C@H](N(C)C(=O)c2ccnn2C)C1
InChIInChI=1S/C15H20N6O2/c1-19(15(22)12-4-6-18-20(12)2)11-5-9-21(10-11)13-14(23-3)17-8-7-16-13/h4,6-8,11H,5,9-10H2,1-3H3/t11-/m0/s1
InChIKeyGHHLGLKDDLKAJS-NSHDSACASA-N
MW316.37 g/mol
LogP0.57
Rot. Bonds4

About N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide

N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 95107830) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID95107830
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCOc1nccnc1N1CC[C@H](N(C)C(=O)c2ccnn2C)C1
InChIInChI=1S/C15H20N6O2/c1-19(15(22)12-4-6-18-20(12)2)11-5-9-21(10-11)13-14(23-3)17-8-7-16-13/h4,6-8,11H,5,9-10H2,1-3H3/t11-/m0/s1
InChIKeyGHHLGLKDDLKAJS-NSHDSACASA-N
XLogP0.57
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide (CID 95107830) is N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide is COc1nccnc1N1CC[C@H](N(C)C(=O)c2ccnn2C)C1.
What is the InChIKey of N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is GHHLGLKDDLKAJS-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6O2/c1-19(15(22)12-4-6-18-20(12)2)11-5-9-21(10-11)13-14(23-3)17-8-7-16-13/h4,6-8,11H,5,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide?
N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 95107830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).